(2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol

C10H16O — CID 142074679

IUPAC(2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol
SMILESC=C/C(=C\C(C)=C(C)C)CO
InChIInChI=1S/C10H16O/c1-5-10(7-11)6-9(4)8(2)3/h5-6,11H,1,7H2,2-4H3/b10-6+
InChIKeyWFQLUKMRRUTXLU-UXBLZVDNSA-N
MW152.24 g/mol
LogP2.45
Rot. Bonds3

About (2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol

(2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol (PubChem CID 142074679) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol.

Molecular Properties

Compound Name(2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol
PubChem CID142074679
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol
SMILESC=C/C(=C\C(C)=C(C)C)CO
InChIInChI=1S/C10H16O/c1-5-10(7-11)6-9(4)8(2)3/h5-6,11H,1,7H2,2-4H3/b10-6+
InChIKeyWFQLUKMRRUTXLU-UXBLZVDNSA-N
XLogP2.45
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.45
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

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Frequently Asked Questions

What is the IUPAC name of (2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol?
The IUPAC name of (2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol (CID 142074679) is (2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol.
What is the SMILES notation for (2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol?
The canonical SMILES for (2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol is C=C/C(=C\C(C)=C(C)C)CO.
What is the InChIKey of (2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol?
The InChIKey is WFQLUKMRRUTXLU-UXBLZVDNSA-N. The full InChI is InChI=1S/C10H16O/c1-5-10(7-11)6-9(4)8(2)3/h5-6,11H,1,7H2,2-4H3/b10-6+.
What are the key properties of (2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol?
(2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-2-ethenyl-4,5-dimethylhexa-2,4-dien-1-ol is sourced from PubChem (CID 142074679), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).