acetic acid;(Z)-hex-2-en-1-ol

C8H16O3 — CID 170839903

IUPACacetic acid;(Z)-hex-2-en-1-ol
SMILESCC(=O)O.CCC/C=C\CO
InChIInChI=1S/C6H12O.C2H4O2/c1-2-3-4-5-6-7;1-2(3)4/h4-5,7H,2-3,6H2,1H3;1H3,(H,3,4)/b5-4-;
InChIKeyHKVHKBKRFAFOLV-MKWAYWHRSA-N
MW160.21 g/mol
LogP1.43
Rot. Bonds3

About acetic acid;(Z)-hex-2-en-1-ol

acetic acid;(Z)-hex-2-en-1-ol (PubChem CID 170839903) has the molecular formula C8H16O3 and a molecular weight of 160.21 g/mol. Its IUPAC name is acetic acid;(Z)-hex-2-en-1-ol.

Molecular Properties

Compound Nameacetic acid;(Z)-hex-2-en-1-ol
PubChem CID170839903
Molecular FormulaC8H16O3
Molecular Weight160.21 g/mol
Exact Mass160.11
IUPAC Nameacetic acid;(Z)-hex-2-en-1-ol
SMILESCC(=O)O.CCC/C=C\CO
InChIInChI=1S/C6H12O.C2H4O2/c1-2-3-4-5-6-7;1-2(3)4/h4-5,7H,2-3,6H2,1H3;1H3,(H,3,4)/b5-4-;
InChIKeyHKVHKBKRFAFOLV-MKWAYWHRSA-N
XLogP1.43
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.21
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(E)-hex-2-en-1-ol;hydrochloride
CID 141009996
acetic acid;(Z)-octadec-2-en-1-ol
CID 175144339
(2E,5E)-nona-2,5-dien-1-ol
CID 12773963
(Z)-but-2-enedioic acid;dec-2-en-1-ol
CID 174232749
acetic acid;(E)-hex-2-ene
CID 174958018
(E)-hex-2-enoic acid
CID 5282707
docosakis(hex-2-enoic acid);phosphane
CID 174896095
[(Z)-hept-3-enyl] acetate;nona-2,6-dien-1-ol
CID 134303237
but-2-ene-1,4-diol;propanoic acid
CID 71351033
acetic acid;(E)-tetradec-7-ene
CID 174697247
acetic acid;(3Z)-2-methylhepta-1,3-diene;propane
CID 145349004
acetic acid;(Z)-tetradec-8-en-1-ol
CID 175504388

Frequently Asked Questions

What is the IUPAC name of acetic acid;(Z)-hex-2-en-1-ol?
The IUPAC name of acetic acid;(Z)-hex-2-en-1-ol (CID 170839903) is acetic acid;(Z)-hex-2-en-1-ol.
What is the SMILES notation for acetic acid;(Z)-hex-2-en-1-ol?
The canonical SMILES for acetic acid;(Z)-hex-2-en-1-ol is CC(=O)O.CCC/C=C\CO.
What is the InChIKey of acetic acid;(Z)-hex-2-en-1-ol?
The InChIKey is HKVHKBKRFAFOLV-MKWAYWHRSA-N. The full InChI is InChI=1S/C6H12O.C2H4O2/c1-2-3-4-5-6-7;1-2(3)4/h4-5,7H,2-3,6H2,1H3;1H3,(H,3,4)/b5-4-;.
What are the key properties of acetic acid;(Z)-hex-2-en-1-ol?
acetic acid;(Z)-hex-2-en-1-ol has a molecular weight of 160.21 g/mol, XLogP of 1.43, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;(Z)-hex-2-en-1-ol is sourced from PubChem (CID 170839903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).