[(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol

C18H32O3 — CID 134303237

IUPAC[(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol
SMILESCCC/C=C\CCOC(C)=O.CCC=CCCC=CCO
InChIInChI=1S/C9H16O2.C9H16O/c1-3-4-5-6-7-8-11-9(2)10;1-2-3-4-5-6-7-8-9-10/h5-6H,3-4,7-8H2,1-2H3;3-4,7-8,10H,2,5-6,9H2,1H3/b6-5-;
InChIKeySNCCIHYJNWZZHU-YSMBQZINSA-N
MW296.45 g/mol
LogP4.58
Rot. Bonds10

About [(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol

[(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol (PubChem CID 134303237) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is [(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol.

Molecular Properties

Compound Name[(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol
PubChem CID134303237
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name[(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol
SMILESCCC/C=C\CCOC(C)=O.CCC=CCCC=CCO
InChIInChI=1S/C9H16O2.C9H16O/c1-3-4-5-6-7-8-11-9(2)10;1-2-3-4-5-6-7-8-9-10/h5-6H,3-4,7-8H2,1-2H3;3-4,7-8,10H,2,5-6,9H2,1H3/b6-5-;
InChIKeySNCCIHYJNWZZHU-YSMBQZINSA-N
XLogP4.58
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;[(Z)-hex-3-enyl] acetate
CID 87304527
[(3Z,14Z)-octadeca-3,14-dienyl] acetate
CID 5363264
[(3Z,8Z)-tetradeca-3,8,11-trienyl] acetate
CID 150495020
[(3Z,13E)-octadeca-3,13-dienyl] acetate;[(Z)-tetradec-11-enyl] acetate
CID 162095329
formic acid;(2E,6Z)-nona-2,6-dien-1-ol
CID 170840037
acetic acid;(Z)-hex-2-en-1-ol
CID 170839903
[(8Z)-tetradeca-3,8-dienyl] acetate
CID 175829151
[(Z)-tridec-10-enyl] acetate
CID 13086957
[(Z)-hex-3-enyl] 2-oxopropanoate
CID 5363291
[(E)-hex-3-enyl] carbonochloridate
CID 13308511
(E)-5-acetyloxypent-2-enoic acid
CID 19026157
bis(hex-3-enyl) propanedioate
CID 54313444

Frequently Asked Questions

What is the IUPAC name of [(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol?
The IUPAC name of [(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol (CID 134303237) is [(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol.
What is the SMILES notation for [(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol?
The canonical SMILES for [(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol is CCC/C=C\CCOC(C)=O.CCC=CCCC=CCO.
What is the InChIKey of [(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol?
The InChIKey is SNCCIHYJNWZZHU-YSMBQZINSA-N. The full InChI is InChI=1S/C9H16O2.C9H16O/c1-3-4-5-6-7-8-11-9(2)10;1-2-3-4-5-6-7-8-9-10/h5-6H,3-4,7-8H2,1-2H3;3-4,7-8,10H,2,5-6,9H2,1H3/b6-5-;.
What are the key properties of [(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol?
[(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol has a molecular weight of 296.45 g/mol, XLogP of 4.58, 10 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol is sourced from PubChem (CID 134303237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).