3-methylhexa-1,3,5-trien-1-ol

C7H10O — CID 173388708

IUPAC3-methylhexa-1,3,5-trien-1-ol
SMILESC=CC=C(C)C=CO
InChIInChI=1S/C7H10O/c1-3-4-7(2)5-6-8/h3-6,8H,1H2,2H3
InChIKeyRFPQYTFGNBUAQO-UHFFFAOYSA-N
MW110.16 g/mol
LogP2.19
Rot. Bonds2

About 3-methylhexa-1,3,5-trien-1-ol

3-methylhexa-1,3,5-trien-1-ol (PubChem CID 173388708) has the molecular formula C7H10O and a molecular weight of 110.16 g/mol. Its IUPAC name is 3-methylhexa-1,3,5-trien-1-ol.

Molecular Properties

Compound Name3-methylhexa-1,3,5-trien-1-ol
PubChem CID173388708
Molecular FormulaC7H10O
Molecular Weight110.16 g/mol
Exact Mass110.07
IUPAC Name3-methylhexa-1,3,5-trien-1-ol
SMILESC=CC=C(C)C=CO
InChIInChI=1S/C7H10O/c1-3-4-7(2)5-6-8/h3-6,8H,1H2,2H3
InChIKeyRFPQYTFGNBUAQO-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500110.16
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E)-3-methylhexa-1,3,5-triene
CID 5367380
(3Z)-4-methylocta-1,3,5-triene
CID 142968936
(3Z,5Z)-7-fluoro-4-methylhepta-1,3,5-triene
CID 118002257
ethane;ethene;(3Z)-3-methylhexa-1,3,5-triene
CID 145383595
(3Z,5Z)-7-methoxy-4-methylhepta-1,3,5-triene
CID 89381358
(3Z,5Z)-8,8,8-trifluoro-4,7-dimethylocta-1,3,5-triene
CID 142213266
ethane;methoxyethane;(3Z,5Z)-4-methylhepta-1,3,5-triene
CID 142066617
(2Z,4Z)-4-methylhepta-2,4,6-triene-1-sulfonic acid
CID 90448370
[(1E,3Z)-3-methylhexa-1,3,5-trienyl]benzene
CID 165151781
(3Z,5Z)-7-ethoxy-4-methylhepta-1,3,5-triene
CID 143959035
fluoroform;(3Z)-3-methylhexa-1,3,5-triene
CID 142106535
(3Z,5Z,7E)-6-methylnona-1,3,5,7-tetraene
CID 144512529

Frequently Asked Questions

What is the IUPAC name of 3-methylhexa-1,3,5-trien-1-ol?
The IUPAC name of 3-methylhexa-1,3,5-trien-1-ol (CID 173388708) is 3-methylhexa-1,3,5-trien-1-ol.
What is the SMILES notation for 3-methylhexa-1,3,5-trien-1-ol?
The canonical SMILES for 3-methylhexa-1,3,5-trien-1-ol is C=CC=C(C)C=CO.
What is the InChIKey of 3-methylhexa-1,3,5-trien-1-ol?
The InChIKey is RFPQYTFGNBUAQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O/c1-3-4-7(2)5-6-8/h3-6,8H,1H2,2H3.
What are the key properties of 3-methylhexa-1,3,5-trien-1-ol?
3-methylhexa-1,3,5-trien-1-ol has a molecular weight of 110.16 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhexa-1,3,5-trien-1-ol is sourced from PubChem (CID 173388708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).