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Structure

(10E,12E,14Z)-Hexadecatrienal

CAS
123200-21-5
Catalog Number
ACM123200215
Category
Insect Pheromone
Molecular Weight
234.383
Molecular Formula
C16H26O

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Specification

IUPAC Name
hexadeca-10,12,14-trienal
Canonical SMILES
CC=CC=CC=CCCCCCCCCC=O
InChI
InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-7,16H,8-15H2,1H3
InChI Key
QXMRYABYXKUWCX-UHFFFAOYSA-N
What is the molecular formula of the compound?

The molecular formula of the compound is C16H26O.

What is the molecular weight of the compound?

The molecular weight of the compound is 234.38 g/mol.

What is the IUPAC name of the compound?

The IUPAC name of the compound is hexadeca-10,12,14-trienal.

What is the InChI code of the compound?

The InChI code of the compound is InChI=1S/C16H26O/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-16-17/h2-7,16H,8-15H2,1H3.

What is the InChIKey of the compound?

The InChIKey of the compound is QXMRYABYXKUWCX-UHFFFAOYSA-N.

What is the canonical SMILES of the compound?

The canonical SMILES of the compound is CC=CC=CC=CCCCCCCCCC=O.

What is the XLogP3-AA value of the compound?

The XLogP3-AA value of the compound is 5.3.

How many hydrogen bond donor counts does the compound have?

The compound has 0 hydrogen bond donor count.

How many hydrogen bond acceptor counts does the compound have?

The compound has 1 hydrogen bond acceptor count.

How many rotatable bond counts does the compound have?

The compound has 11 rotatable bond counts.

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