3-ethyl-4-methylhexa-4,5-dien-1-ol

C9H16O — CID 174367127

IUPAC3-ethyl-4-methylhexa-4,5-dien-1-ol
SMILESC=C=C(C)C(CC)CCO
InChIInChI=1S/C9H16O/c1-4-8(3)9(5-2)6-7-10/h9-10H,1,5-7H2,2-3H3
InChIKeySWDRPYRXOAWAOI-UHFFFAOYSA-N
MW140.23 g/mol
LogP2.13
Rot. Bonds4

About 3-ethyl-4-methylhexa-4,5-dien-1-ol

3-ethyl-4-methylhexa-4,5-dien-1-ol (PubChem CID 174367127) has the molecular formula C9H16O and a molecular weight of 140.23 g/mol. Its IUPAC name is 3-ethyl-4-methylhexa-4,5-dien-1-ol.

Molecular Properties

Compound Name3-ethyl-4-methylhexa-4,5-dien-1-ol
PubChem CID174367127
Molecular FormulaC9H16O
Molecular Weight140.23 g/mol
Exact Mass140.12
IUPAC Name3-ethyl-4-methylhexa-4,5-dien-1-ol
SMILESC=C=C(C)C(CC)CCO
InChIInChI=1S/C9H16O/c1-4-8(3)9(5-2)6-7-10/h9-10H,1,5-7H2,2-3H3
InChIKeySWDRPYRXOAWAOI-UHFFFAOYSA-N
XLogP2.13
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.23
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(3R)-4-methylhexa-4,5-dien-3-ol
CID 11029792
5-hydroxy-3-(2-hydroxyethyl)-2-methylpent-1-en-1-one
CID 123468742
ethane;3-methyl-4-propylundeca-1,2-diene
CID 143173794
3-methylocta-1,2-dien-4-amine
CID 55285036
6-ethyl-7-methylocta-1,2,7-triene
CID 91218176
ethane;2-methylbutane;3-methylhexane;3,4,5-trimethylhexa-1,2-diene
CID 164916151
3-fluoro-4-methylhexan-1-ol
CID 59089278
3-hydroxy-2-(2-hydroxyethyl)pentanenitrile
CID 54373912
5-chloro-3,4-dimethylpenta-1,2-diene
CID 55302448
bis(butan-1-ol);bis(3-ethylpent-1-en-2-olate);zirconium(2+)
CID 158004455
3,5,8-triethyldecane-1,10-diol
CID 87065848
azane;3-ethyl-2-methylpent-1-ene;hydrochloride
CID 175344836

Frequently Asked Questions

What is the IUPAC name of 3-ethyl-4-methylhexa-4,5-dien-1-ol?
The IUPAC name of 3-ethyl-4-methylhexa-4,5-dien-1-ol (CID 174367127) is 3-ethyl-4-methylhexa-4,5-dien-1-ol.
What is the SMILES notation for 3-ethyl-4-methylhexa-4,5-dien-1-ol?
The canonical SMILES for 3-ethyl-4-methylhexa-4,5-dien-1-ol is C=C=C(C)C(CC)CCO.
What is the InChIKey of 3-ethyl-4-methylhexa-4,5-dien-1-ol?
The InChIKey is SWDRPYRXOAWAOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O/c1-4-8(3)9(5-2)6-7-10/h9-10H,1,5-7H2,2-3H3.
What are the key properties of 3-ethyl-4-methylhexa-4,5-dien-1-ol?
3-ethyl-4-methylhexa-4,5-dien-1-ol has a molecular weight of 140.23 g/mol, XLogP of 2.13, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethyl-4-methylhexa-4,5-dien-1-ol is sourced from PubChem (CID 174367127), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).