2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol

C11H18O — CID 529303

IUPAC2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol
SMILESC=C(C)C(=C=C(C)C)C(C)(C)O
InChIInChI=1S/C11H18O/c1-8(2)7-10(9(3)4)11(5,6)12/h12H,3H2,1-2,4-6H3
InChIKeyOOYJYXZAXCOHEW-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.82
Rot. Bonds2

About 2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol

2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol (PubChem CID 529303) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol.

Molecular Properties

Compound Name2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol
PubChem CID529303
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol
SMILESC=C(C)C(=C=C(C)C)C(C)(C)O
InChIInChI=1S/C11H18O/c1-8(2)7-10(9(3)4)11(5,6)12/h12H,3H2,1-2,4-6H3
InChIKeyOOYJYXZAXCOHEW-UHFFFAOYSA-N
XLogP2.82
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.82
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

2,4-Dimethyl-4-penten-2-ol
CID 140605
3,5-Dimethyl-5-hexen-3-ol
CID 552026
3-Ethyl-5-methylhex-5-en-3-ol
CID 21727065
2,3-Dimethylhepta-1,6-dien-3-ol
CID 10486940
3,5-Dimethylhexa-1,5-dien-3-ol
CID 12452971
(5E)-3,5-dimethylocta-1,5-dien-3-ol
CID 134896877
(5E,9E)-3,5,9-trimethyldodeca-1,5,9-trien-3-ol
CID 134896924
4-Ethyl-3-methylnona-1,4,5-trien-3-ol
CID 134995394
3-Ethyl-2-methyl-1-penten-3-ol
CID 567172
5-(Deuteriomethyl)-3-ethylhex-5-en-3-ol
CID 21608133
3-Ethyl-5-methylene-6-hepten-3-ol
CID 101624456
(5E)-3,5-dimethylocta-1,5,7-trien-3-ol
CID 6433750

Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol?
The IUPAC name of 2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol (CID 529303) is 2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol.
What is the SMILES notation for 2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol?
The canonical SMILES for 2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol is C=C(C)C(=C=C(C)C)C(C)(C)O.
What is the InChIKey of 2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol?
The InChIKey is OOYJYXZAXCOHEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-8(2)7-10(9(3)4)11(5,6)12/h12H,3H2,1-2,4-6H3.
What are the key properties of 2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol?
2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol has a molecular weight of 166.26 g/mol, XLogP of 2.82, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-3-prop-1-en-2-ylhexa-3,4-dien-2-ol is sourced from PubChem (CID 529303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).