3-methylhepta-2,5-dien-1-ol

C8H14O — CID 167443292

IUPAC3-methylhepta-2,5-dien-1-ol
SMILESCC=CCC(C)=CCO
InChIInChI=1S/C8H14O/c1-3-4-5-8(2)6-7-9/h3-4,6,9H,5,7H2,1-2H3
InChIKeyDLCZAURWZJZHSA-UHFFFAOYSA-N
MW126.20 g/mol
LogP1.89
Rot. Bonds3

About 3-methylhepta-2,5-dien-1-ol

3-methylhepta-2,5-dien-1-ol (PubChem CID 167443292) has the molecular formula C8H14O and a molecular weight of 126.20 g/mol. Its IUPAC name is 3-methylhepta-2,5-dien-1-ol.

Molecular Properties

Compound Name3-methylhepta-2,5-dien-1-ol
PubChem CID167443292
Molecular FormulaC8H14O
Molecular Weight126.20 g/mol
Exact Mass126.10
IUPAC Name3-methylhepta-2,5-dien-1-ol
SMILESCC=CCC(C)=CCO
InChIInChI=1S/C8H14O/c1-3-4-5-8(2)6-7-9/h3-4,6,9H,5,7H2,1-2H3
InChIKeyDLCZAURWZJZHSA-UHFFFAOYSA-N
XLogP1.89
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.20
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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CID 57183202
3-methyldodeca-2,6,10-trien-1-ol
CID 57126192
5-methylnona-1,4,7-triene
CID 59970949
6-methyldeca-1,5,8-triene
CID 150645087
(E)-5-hydroxy-3-methylpent-3-enal
CID 88818950
(2E,5E)-3,7-dimethylocta-2,5-dien-1-ol
CID 152758183
(Z)-3-methylpent-2-ene-1,5-diol
CID 12561740
5-amino-3-methylpent-2-en-1-ol
CID 167443308
actinium;bis(3-methylhex-2-en-1-ol)
CID 160943648
(4E)-2-methylhexa-1,4-diene
CID 5367524
ethane;N-[(1Z,4Z)-2-methylhexa-1,4-dienyl]pentan-2-imine
CID 153342646
(2E,5E,7R,8S)-3,7,8-trimethyldeca-2,5-dien-1-ol
CID 59516406

Frequently Asked Questions

What is the IUPAC name of 3-methylhepta-2,5-dien-1-ol?
The IUPAC name of 3-methylhepta-2,5-dien-1-ol (CID 167443292) is 3-methylhepta-2,5-dien-1-ol.
What is the SMILES notation for 3-methylhepta-2,5-dien-1-ol?
The canonical SMILES for 3-methylhepta-2,5-dien-1-ol is CC=CCC(C)=CCO.
What is the InChIKey of 3-methylhepta-2,5-dien-1-ol?
The InChIKey is DLCZAURWZJZHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H14O/c1-3-4-5-8(2)6-7-9/h3-4,6,9H,5,7H2,1-2H3.
What are the key properties of 3-methylhepta-2,5-dien-1-ol?
3-methylhepta-2,5-dien-1-ol has a molecular weight of 126.20 g/mol, XLogP of 1.89, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhepta-2,5-dien-1-ol is sourced from PubChem (CID 167443292), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).