acetic acid;2-ethylidenepent-4-en-1-ol

C9H16O3 — CID 71397041

IUPACacetic acid;2-ethylidenepent-4-en-1-ol
SMILESC=CCC(=CC)CO.CC(=O)O
InChIInChI=1S/C7H12O.C2H4O2/c1-3-5-7(4-2)6-8;1-2(3)4/h3-4,8H,1,5-6H2,2H3;1H3,(H,3,4)
InChIKeyOJGSIVXJBNFXCO-UHFFFAOYSA-N
MW172.22 g/mol
LogP1.59
Rot. Bonds3

About acetic acid;2-ethylidenepent-4-en-1-ol

acetic acid;2-ethylidenepent-4-en-1-ol (PubChem CID 71397041) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is acetic acid;2-ethylidenepent-4-en-1-ol.

Molecular Properties

Compound Nameacetic acid;2-ethylidenepent-4-en-1-ol
PubChem CID71397041
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Nameacetic acid;2-ethylidenepent-4-en-1-ol
SMILESC=CCC(=CC)CO.CC(=O)O
InChIInChI=1S/C7H12O.C2H4O2/c1-3-5-7(4-2)6-8;1-2(3)4/h3-4,8H,1,5-6H2,2H3;1H3,(H,3,4)
InChIKeyOJGSIVXJBNFXCO-UHFFFAOYSA-N
XLogP1.59
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 51.59
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

2-hydroxyacetic acid;tris(prop-1-ene)
CID 159374774
2-hydroxyacetic acid;prop-1-ene
CID 19035670
(213C)pent-4-en-2-one
CID 173180315
acetic acid;but-1-ene
CID 88520349
2-prop-2-enylbut-2-ene-1,4-diol
CID 88717764
acetic acid;carbonic acid;prop-1-ene
CID 87718804
acetic acid;ethenethiol
CID 158183223
carbonic acid;4-methylidenehepta-1,6-diene
CID 88505176
3-ethylidene-2-methylhex-5-enoic acid
CID 173012377
(4Z)-4-ethylidenehept-1-ene
CID 12841273
ethane-1,2-diol;bis(2-methylprop-2-enoic acid);tetrakis(prop-1-ene)
CID 174760131
acetic acid;2-methylbuta-1,3-diene
CID 162329319

Frequently Asked Questions

What is the IUPAC name of acetic acid;2-ethylidenepent-4-en-1-ol?
The IUPAC name of acetic acid;2-ethylidenepent-4-en-1-ol (CID 71397041) is acetic acid;2-ethylidenepent-4-en-1-ol.
What is the SMILES notation for acetic acid;2-ethylidenepent-4-en-1-ol?
The canonical SMILES for acetic acid;2-ethylidenepent-4-en-1-ol is C=CCC(=CC)CO.CC(=O)O.
What is the InChIKey of acetic acid;2-ethylidenepent-4-en-1-ol?
The InChIKey is OJGSIVXJBNFXCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12O.C2H4O2/c1-3-5-7(4-2)6-8;1-2(3)4/h3-4,8H,1,5-6H2,2H3;1H3,(H,3,4).
What are the key properties of acetic acid;2-ethylidenepent-4-en-1-ol?
acetic acid;2-ethylidenepent-4-en-1-ol has a molecular weight of 172.22 g/mol, XLogP of 1.59, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for acetic acid;2-ethylidenepent-4-en-1-ol is sourced from PubChem (CID 71397041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).