acetic acid;(Z)-dec-3-ene

C12H24O2 — CID 174912778

IUPACacetic acid;(Z)-dec-3-ene
SMILESCC(=O)O.CC/C=C\CCCCCC
InChIInChI=1S/C10H20.C2H4O2/c1-3-5-7-9-10-8-6-4-2;1-2(3)4/h5,7H,3-4,6,8-10H2,1-2H3;1H3,(H,3,4)/b7-5-;
InChIKeyBTIROXIEIKJZIT-YJOCEBFMSA-N
MW200.32 g/mol
LogP4.01
Rot. Bonds6

About acetic acid;(Z)-dec-3-ene

acetic acid;(Z)-dec-3-ene (PubChem CID 174912778) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is acetic acid;(Z)-dec-3-ene.

Molecular Properties

Compound Nameacetic acid;(Z)-dec-3-ene
PubChem CID174912778
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Nameacetic acid;(Z)-dec-3-ene
SMILESCC(=O)O.CC/C=C\CCCCCC
InChIInChI=1S/C10H20.C2H4O2/c1-3-5-7-9-10-8-6-4-2;1-2(3)4/h5,7H,3-4,6,8-10H2,1-2H3;1H3,(H,3,4)/b7-5-;
InChIKeyBTIROXIEIKJZIT-YJOCEBFMSA-N
XLogP4.01
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 54.01
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'}

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Related Compounds

acetic acid;(E)-tetradec-7-ene
CID 174697247
carbonic acid;(Z)-octadec-9-ene
CID 87599003
(E)-octadec-3-ene
CID 5365984
(E)-nonacos-3-ene
CID 22172230
(3Z,11Z)-heptadeca-3,11-diene
CID 91750518
octacos-3-ene
CID 54171253
(Z)-tridec-3-ene
CID 5362711
(E)-heptadec-3-ene
CID 5352250
(3E,13E)-nonadeca-3,13-diene
CID 141029609
acetic acid;(Z)-tridec-3-en-1-ol
CID 175355445
acetic acid;(Z)-octadec-2-en-1-ol
CID 175144339
acetic acid;hexadec-10-en-1-ol
CID 71444791

Frequently Asked Questions

What is the IUPAC name of acetic acid;(Z)-dec-3-ene?
The IUPAC name of acetic acid;(Z)-dec-3-ene (CID 174912778) is acetic acid;(Z)-dec-3-ene.
What is the SMILES notation for acetic acid;(Z)-dec-3-ene?
The canonical SMILES for acetic acid;(Z)-dec-3-ene is CC(=O)O.CC/C=C\CCCCCC.
What is the InChIKey of acetic acid;(Z)-dec-3-ene?
The InChIKey is BTIROXIEIKJZIT-YJOCEBFMSA-N. The full InChI is InChI=1S/C10H20.C2H4O2/c1-3-5-7-9-10-8-6-4-2;1-2(3)4/h5,7H,3-4,6,8-10H2,1-2H3;1H3,(H,3,4)/b7-5-;.
What are the key properties of acetic acid;(Z)-dec-3-ene?
acetic acid;(Z)-dec-3-ene has a molecular weight of 200.32 g/mol, XLogP of 4.01, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(Z)-dec-3-ene is sourced from PubChem (CID 174912778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).