acetic acid;(E)-tetradec-7-ene

C16H32O2 — CID 174697247

IUPACacetic acid;(E)-tetradec-7-ene
SMILESCC(=O)O.CCCCCC/C=C/CCCCCC
InChIInChI=1S/C14H28.C2H4O2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-2(3)4/h13-14H,3-12H2,1-2H3;1H3,(H,3,4)/b14-13+;
InChIKeyABGFTFBRCPTUGC-IERUDJENSA-N
MW256.43 g/mol
LogP5.57
Rot. Bonds10

About acetic acid;(E)-tetradec-7-ene

acetic acid;(E)-tetradec-7-ene (PubChem CID 174697247) has the molecular formula C16H32O2 and a molecular weight of 256.43 g/mol. Its IUPAC name is acetic acid;(E)-tetradec-7-ene.

Molecular Properties

Compound Nameacetic acid;(E)-tetradec-7-ene
PubChem CID174697247
Molecular FormulaC16H32O2
Molecular Weight256.43 g/mol
Exact Mass256.24
IUPAC Nameacetic acid;(E)-tetradec-7-ene
SMILESCC(=O)O.CCCCCC/C=C/CCCCCC
InChIInChI=1S/C14H28.C2H4O2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-2(3)4/h13-14H,3-12H2,1-2H3;1H3,(H,3,4)/b14-13+;
InChIKeyABGFTFBRCPTUGC-IERUDJENSA-N
XLogP5.57
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500256.43
LogP ≤ 55.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze acetic acid;(E)-tetradec-7-ene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

acetic acid;(Z)-dec-3-ene
CID 174912778
carbonic acid;(Z)-octadec-9-ene
CID 87599003
acetic acid;(Z)-octadec-2-en-1-ol
CID 175144339
acetic acid;hexadec-10-en-1-ol
CID 71444791
acetic acid;(Z)-tetradec-8-en-1-ol
CID 175504388
acetic acid;(Z)-tridec-3-en-1-ol
CID 175355445
acetic acid;(8Z)-tetradeca-1,8-diene
CID 175396356
acetic acid;hexadec-1-en-1-ol
CID 71357658
icosa-2,12-dienoic acid
CID 174301675
acetic acid;tetracos-1-en-1-ol
CID 71418206
icosa-2,11-dienoic acid
CID 54537818
acetic acid;(5Z)-dodeca-1,5-diene
CID 174529937

Frequently Asked Questions

What is the IUPAC name of acetic acid;(E)-tetradec-7-ene?
The IUPAC name of acetic acid;(E)-tetradec-7-ene (CID 174697247) is acetic acid;(E)-tetradec-7-ene.
What is the SMILES notation for acetic acid;(E)-tetradec-7-ene?
The canonical SMILES for acetic acid;(E)-tetradec-7-ene is CC(=O)O.CCCCCC/C=C/CCCCCC.
What is the InChIKey of acetic acid;(E)-tetradec-7-ene?
The InChIKey is ABGFTFBRCPTUGC-IERUDJENSA-N. The full InChI is InChI=1S/C14H28.C2H4O2/c1-3-5-7-9-11-13-14-12-10-8-6-4-2;1-2(3)4/h13-14H,3-12H2,1-2H3;1H3,(H,3,4)/b14-13+;.
What are the key properties of acetic acid;(E)-tetradec-7-ene?
acetic acid;(E)-tetradec-7-ene has a molecular weight of 256.43 g/mol, XLogP of 5.57, 10 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(E)-tetradec-7-ene is sourced from PubChem (CID 174697247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).