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

C8H16O2 — CID 87142970

IUPACacetic acid;(Z)-hex-3-ene
SMILESCC(=O)O.CC/C=C\CC
InChIInChI=1S/C6H12.C2H4O2/c1-3-5-6-4-2;1-2(3)4/h5-6H,3-4H2,1-2H3;1H3,(H,3,4)/b6-5-;
InChIKeyLOCSRIXUMVVMTC-YSMBQZINSA-N
MW144.21 g/mol
LogP2.45
Rot. Bonds2

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

acetic acid;(Z)-hex-3-ene (PubChem CID 87142970) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is acetic acid;(Z)-hex-3-ene.

Molecular Properties

Compound Nameacetic acid;(Z)-hex-3-ene
PubChem CID87142970
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Nameacetic acid;(Z)-hex-3-ene
SMILESCC(=O)O.CC/C=C\CC
InChIInChI=1S/C6H12.C2H4O2/c1-3-5-6-4-2;1-2(3)4/h5-6H,3-4H2,1-2H3;1H3,(H,3,4)/b6-5-;
InChIKeyLOCSRIXUMVVMTC-YSMBQZINSA-N
XLogP2.45
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

acetic acid;(E)-but-1-en-1-ol
CID 169488474
(Z)-hex-3-ene;propanoic acid
CID 174827236
carbamic acid;(Z)-hex-3-ene
CID 158256779
carbamic acid;hex-3-ene
CID 175321124
(E)-pent-2-enoic acid
CID 638122
acetic acid;(Z)-dec-3-ene
CID 174912778
pent-2-enoic acid;hydrochloride
CID 156883966
acetic acid;[(Z)-hex-3-enyl] acetate
CID 87304527
acetic acid;propanal;hydrate
CID 160743945
acetic acid;but-1-ene
CID 88520349
undeca-2,8-dienoic acid
CID 86068100
acetic acid;azane;propane
CID 173127482

Frequently Asked Questions

What is the IUPAC name of acetic acid;(Z)-hex-3-ene?
The IUPAC name of acetic acid;(Z)-hex-3-ene (CID 87142970) is acetic acid;(Z)-hex-3-ene.
What is the SMILES notation for acetic acid;(Z)-hex-3-ene?
The canonical SMILES for acetic acid;(Z)-hex-3-ene is CC(=O)O.CC/C=C\CC.
What is the InChIKey of acetic acid;(Z)-hex-3-ene?
The InChIKey is LOCSRIXUMVVMTC-YSMBQZINSA-N. The full InChI is InChI=1S/C6H12.C2H4O2/c1-3-5-6-4-2;1-2(3)4/h5-6H,3-4H2,1-2H3;1H3,(H,3,4)/b6-5-;.
What are the key properties of acetic acid;(Z)-hex-3-ene?
acetic acid;(Z)-hex-3-ene has a molecular weight of 144.21 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(Z)-hex-3-ene is sourced from PubChem (CID 87142970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).