(2E)-2-ethylidene-7-hydroxyheptanal

C9H16O2 — CID 11126506

IUPAC(2E)-2-ethylidene-7-hydroxyheptanal
SMILESC/C=C(/C=O)CCCCCO
InChIInChI=1S/C9H16O2/c1-2-9(8-11)6-4-3-5-7-10/h2,8,10H,3-7H2,1H3/b9-2+
InChIKeyRPVXLHJBTUDGNU-XNWCZRBMSA-N
MW156.22 g/mol
LogP1.68
Rot. Bonds6

About (2E)-2-ethylidene-7-hydroxyheptanal

(2E)-2-ethylidene-7-hydroxyheptanal (PubChem CID 11126506) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is (2E)-2-ethylidene-7-hydroxyheptanal.

Molecular Properties

Compound Name(2E)-2-ethylidene-7-hydroxyheptanal
PubChem CID11126506
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name(2E)-2-ethylidene-7-hydroxyheptanal
SMILESC/C=C(/C=O)CCCCCO
InChIInChI=1S/C9H16O2/c1-2-9(8-11)6-4-3-5-7-10/h2,8,10H,3-7H2,1H3/b9-2+
InChIKeyRPVXLHJBTUDGNU-XNWCZRBMSA-N
XLogP1.68
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

8-hydroxy-2-(4-hydroxybutyl)oct-2-enal
CID 73110484
2-ethylidene-8-hydroxyoctanoic acid
CID 123361618
7-hydroxy-2-oxoheptanal
CID 19737750
6-hydroxyhexanoyl chloride
CID 87077852
21-hydroxyhenicosan-2-one
CID 153324955
19-hydroxynonadecan-2-one
CID 123829227
hexane-1,6-diol;hexanedioyl dichloride
CID 86756475
2-methylbut-2-enoic acid;pentane-1,5-diol
CID 174259555
2-ethylidene-7-methyloct-6-enal
CID 134495244
1,11-dihydroxyundecan-6-one
CID 14015246
ethane;6-hydroxyhexanoic acid
CID 87459132
heptane-1,7-diol;oxalic acid
CID 175705321

Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethylidene-7-hydroxyheptanal?
The IUPAC name of (2E)-2-ethylidene-7-hydroxyheptanal (CID 11126506) is (2E)-2-ethylidene-7-hydroxyheptanal.
What is the SMILES notation for (2E)-2-ethylidene-7-hydroxyheptanal?
The canonical SMILES for (2E)-2-ethylidene-7-hydroxyheptanal is C/C=C(/C=O)CCCCCO.
What is the InChIKey of (2E)-2-ethylidene-7-hydroxyheptanal?
The InChIKey is RPVXLHJBTUDGNU-XNWCZRBMSA-N. The full InChI is InChI=1S/C9H16O2/c1-2-9(8-11)6-4-3-5-7-10/h2,8,10H,3-7H2,1H3/b9-2+.
What are the key properties of (2E)-2-ethylidene-7-hydroxyheptanal?
(2E)-2-ethylidene-7-hydroxyheptanal has a molecular weight of 156.22 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethylidene-7-hydroxyheptanal is sourced from PubChem (CID 11126506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).