Octadecyl(R)-12-hydroxyoleate

CAS

93980-70-2

Catalog Number

ACM93980702

Category

Other Products

Molecular Weight

550.939200 [g/mol]

Molecular Formula

C₃₆H₇₀O₃

MSDS COA Spec Sheet

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Specification

Synonyms

Octadecyl (R)-12-hydroxyoleate, AC1O5FEA, EINECS 301-049-3, octadecyl (Z)-12-hydroxyoctadec-9-enoate, 93980-70-2

IUPAC Name

octadecyl (Z)-12-hydroxyoctadec-9-enoate

Canonical SMILES

CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC(CCCCCC)O

InChI Key

PHVQRWNQGOIZLC-COOPMVRXSA-N

Boiling Point

618.6ºC at 760 mmHg

Flash Point

214.5ºC

Density

0.891g/cm³

EC Number

301-049-3

Exact Mass

550.53200

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of octadecyl(R)-12-hydroxyoleate?

The molecular formula is C36H70O3.

When was octadecyl(R)-12-hydroxyoleate created and last modified on PubChem?

It was created on 2007-12-05 and last modified on 2023-12-30.

What is the IUPAC name of octadecyl(R)-12-hydroxyoleate?

The IUPAC name is octadecyl (Z,12R)-12-hydroxyoctadec-9-enoate.

What is the InChI key of octadecyl(R)-12-hydroxyoleate?

The InChI key is PHVQRWNQGOIZLC-YZPCPXFJSA-N.

What is the Canonical SMILES representation of octadecyl(R)-12-hydroxyoleate?

The Canonical SMILES is CCCCCCCCCCCCCCCCCCOC(=O)CCCCCCCC=CCC(CCCCCC)O.

What is the molecular weight of octadecyl(R)-12-hydroxyoleate?

The molecular weight is 550.9 g/mol.

How many hydrogen bond donor counts are present in octadecyl(R)-12-hydroxyoleate?

There is 1 hydrogen bond donor count.

What is the XLogP3-AA value of octadecyl(R)-12-hydroxyoleate?

The XLogP3-AA value is 14.9.

How many rotatable bond counts are there in octadecyl(R)-12-hydroxyoleate?

There are 33 rotatable bond counts.

Is octadecyl(R)-12-hydroxyoleate considered as a canonicalized compound on PubChem?

Yes, it is considered as a canonicalized compound on PubChem.

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