[r-(Z)]-5-Isopropyl-8-methylnona-6,8-dien-2-one

CAS

99745-11-6

Catalog Number

ACM99745116

Category

Other Products

Molecular Weight

194.313180 [g/mol]

Molecular Formula

C₁₃H₂₂O

MSDS COA Spec Sheet

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Specification

Synonyms

Solanone, EINECS 309-013-9, CID6437782, (R-(Z))-5-Isopropyl-8-methylnona-6,8-dien-2-one, 6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-, (R-(Z))-, 99745-11-6

IUPAC Name

(6Z)-8-methyl-5-propan-2-ylnona-6,8-dien-2-one

Canonical SMILES

CC(C)C(CCC(=O)C)C=CC(=C)C

InChI Key

PQDRXUSSKFWCFA-VURMDHGXSA-N

Boiling Point

269ºC at 760 mmHg

Flash Point

96.3ºC

Density

0.846g/cm³

EC Number

309-013-9

Exact Mass

194.16700

H-Bond Acceptor

H-Bond Donor

What is the molecular formula of the compound with the PubChem CID 90477965?

The molecular formula is C13H22O.

What are the synonyms of the compound with the PubChem CID 90477965?

The synonyms are 99745-11-6, 6,8-Nonadien-2-one, 8-methyl-5-(1-methylethyl)-, [R-(Z)]-, [R-(Z)]-5-isopropyl-8-methylnona-6,8-dien-2-one, SCHEMBL24089836, and DTXSID701195156.

What is the molecular weight of the compound with the PubChem CID 90477965?

The molecular weight is 194.31 g/mol.

What is the IUPAC name of the compound with the PubChem CID 90477965?

The IUPAC name is (5R,6Z)-8-methyl-5-propan-2-ylnona-6,8-dien-2-one.

What is the InChI of the compound with the PubChem CID 90477965?

The InChI is InChI=1S/C13H22O/c1-10(2)6-8-13(11(3)4)9-7-12(5)14/h6,8,11,13H,1,7,9H2,2-5H3/b8-6-/t13-/m1/s1.

What is the InChIKey of the compound with the PubChem CID 90477965?

The InChIKey is PQDRXUSSKFWCFA-FWPCIQOSSA-N.

What is the canonical SMILES of the compound with the PubChem CID 90477965?

The canonical SMILES is CC(C)C(CCC(=O)C)C=CC(=C)C.

How many hydrogen bond donor counts does the compound with the PubChem CID 90477965 have?

The compound has 0 hydrogen bond donor count.