(3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol

C10H16O — CID 5318632

IUPAC(3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol
SMILESC=C(C)/C=C/C(CO)C(=C)C
InChIInChI=1S/C10H16O/c1-8(2)5-6-10(7-11)9(3)4/h5-6,10-11H,1,3,7H2,2,4H3/b6-5+
InChIKeyKBVFHOKBXAUWHI-AATRIKPKSA-N
MW152.24 g/mol
LogP2.30
Rot. Bonds4

About (3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol

(3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol (PubChem CID 5318632) has the molecular formula C10H16O and a molecular weight of 152.24 g/mol. Its IUPAC name is (3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol.

Molecular Properties

Compound Name(3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol
PubChem CID5318632
Molecular FormulaC10H16O
Molecular Weight152.24 g/mol
Exact Mass152.12
IUPAC Name(3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol
SMILESC=C(C)/C=C/C(CO)C(=C)C
InChIInChI=1S/C10H16O/c1-8(2)5-6-10(7-11)9(3)4/h5-6,10-11H,1,3,7H2,2,4H3/b6-5+
InChIKeyKBVFHOKBXAUWHI-AATRIKPKSA-N
XLogP2.30
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.24
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(-)-Lavandulol
CID 5464156
Lavandulol, (+-)-
CID 94060
Isogeraniol
CID 5362876
(Z)-Sesquilavandulol
CID 5352147
3Z,6Z,8E-Dodecatrien-1-ol
CID 6442192
2-Ethenyl-2,5-dimethylhex-4-en-1-ol
CID 549543
(3E)-3,7-dimethylocta-3,6-dien-1-ol
CID 6536347
3Z,6E,8E-Dodecatrien-1-ol
CID 10976097
(S)-Lavandulol
CID 68133
Nonadien-1-ol
CID 112657
6-Methyl-3-hepten-1-ol, (3E)-
CID 6433270
3-Methyldec-4-en-1-ol
CID 6428572

Frequently Asked Questions

What is the IUPAC name of (3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol?
The IUPAC name of (3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol (CID 5318632) is (3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol.
What is the SMILES notation for (3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol?
The canonical SMILES for (3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol is C=C(C)/C=C/C(CO)C(=C)C.
What is the InChIKey of (3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol?
The InChIKey is KBVFHOKBXAUWHI-AATRIKPKSA-N. The full InChI is InChI=1S/C10H16O/c1-8(2)5-6-10(7-11)9(3)4/h5-6,10-11H,1,3,7H2,2,4H3/b6-5+.
What are the key properties of (3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol?
(3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol has a molecular weight of 152.24 g/mol, XLogP of 2.30, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3E)-5-methyl-2-prop-1-en-2-ylhexa-3,5-dien-1-ol is sourced from PubChem (CID 5318632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).