ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol

C12H24O — CID 144981154

IUPACethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
SMILESC=C/C=C(/CO)C(=C)C.CC.CC
InChIInChI=1S/C8H12O.2C2H6/c1-4-5-8(6-9)7(2)3;2*1-2/h4-5,9H,1-2,6H2,3H3;2*1-2H3/b8-5-;;
InChIKeyPMLPYQBFDKJWQN-XTKZWJJBSA-N
MW184.32 g/mol
LogP3.72
Rot. Bonds3

About ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol

ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol (PubChem CID 144981154) has the molecular formula C12H24O and a molecular weight of 184.32 g/mol. Its IUPAC name is ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol.

Molecular Properties

Compound Nameethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
PubChem CID144981154
Molecular FormulaC12H24O
Molecular Weight184.32 g/mol
Exact Mass184.18
IUPAC Nameethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
SMILESC=C/C=C(/CO)C(=C)C.CC.CC
InChIInChI=1S/C8H12O.2C2H6/c1-4-5-8(6-9)7(2)3;2*1-2/h4-5,9H,1-2,6H2,3H3;2*1-2H3/b8-5-;;
InChIKeyPMLPYQBFDKJWQN-XTKZWJJBSA-N
XLogP3.72
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2Z,3E)-3-bromo-2-ethylidenehexa-3,5-dien-1-ol;ethane
CID 143124692
ethane;N-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]aniline
CID 177153138
ethane;1-methyl-4-[(2Z)-2-prop-1-en-2-ylpenta-2,4-dienyl]benzene
CID 166162236
(3Z)-N,N-dimethyl-3-prop-1-en-2-ylhexa-3,5-dienimidamide
CID 142083540
ethane;(3E)-2-methylhexa-1,3,5-trien-3-ol
CID 144511153
(2E)-4-fluoro-2-prop-1-en-2-ylpenta-2,4-dien-1-ol
CID 144678722
(3E)-3-chloro-2-methylhexa-1,3,5-triene;ethane
CID 143207837
ethane;(3Z,5E)-4-methyl-5-prop-1-en-2-ylocta-1,3,5,7-tetraene
CID 144917186
ethane;(3E)-3-ethenyl-2-methylhexa-1,3,5-triene;2-methylprop-1-ene
CID 142058077
(2E)-2-[(E)-1-nitroprop-1-enyl]penta-2,4-dien-1-ol
CID 143808587
(2Z)-2-(1-fluoroethenyl)-N-methylpenta-2,4-dien-1-amine
CID 143114210
(3Z)-3-ethylhexa-1,3,5-trien-2-amine
CID 143431961

Frequently Asked Questions

What is the IUPAC name of ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol?
The IUPAC name of ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol (CID 144981154) is ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol.
What is the SMILES notation for ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol?
The canonical SMILES for ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol is C=C/C=C(/CO)C(=C)C.CC.CC.
What is the InChIKey of ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol?
The InChIKey is PMLPYQBFDKJWQN-XTKZWJJBSA-N. The full InChI is InChI=1S/C8H12O.2C2H6/c1-4-5-8(6-9)7(2)3;2*1-2/h4-5,9H,1-2,6H2,3H3;2*1-2H3/b8-5-;;.
What are the key properties of ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol?
ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol has a molecular weight of 184.32 g/mol, XLogP of 3.72, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;(2E)-2-prop-1-en-2-ylpenta-2,4-dien-1-ol is sourced from PubChem (CID 144981154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).