3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol

C12H24O2 — CID 160907821

IUPAC3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol
SMILESC=CC(C)(O)CC.CC(C)=CCCO
InChIInChI=1S/2C6H12O/c1-6(2)4-3-5-7;1-4-6(3,7)5-2/h4,7H,3,5H2,1-2H3;4,7H,1,5H2,2-3H3
InChIKeySQJKUQXZDKSEPS-UHFFFAOYSA-N
MW200.32 g/mol
LogP2.67
Rot. Bonds4

About 3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol

3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol (PubChem CID 160907821) has the molecular formula C12H24O2 and a molecular weight of 200.32 g/mol. Its IUPAC name is 3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol.

Molecular Properties

Compound Name3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol
PubChem CID160907821
Molecular FormulaC12H24O2
Molecular Weight200.32 g/mol
Exact Mass200.18
IUPAC Name3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol
SMILESC=CC(C)(O)CC.CC(C)=CCCO
InChIInChI=1S/2C6H12O/c1-6(2)4-3-5-7;1-4-6(3,7)5-2/h4,7H,3,5H2,1-2H3;4,7H,1,5H2,2-3H3
InChIKeySQJKUQXZDKSEPS-UHFFFAOYSA-N
XLogP2.67
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3,7-dimethylocta-1,6-dien-3-ol;hexane
CID 135305503
4-ethenyl-3-ethyl-4,8-dimethylnon-7-en-3-ol
CID 10966171
carbonic acid;3,7-dimethylocta-1,6-dien-3-ol;hydrate
CID 174785668
acetic acid;3,7-dimethylocta-1,6-dien-3-ol;3,7-dimethyloct-6-en-1-ol
CID 174949943
3-ethenyl-3,7-dimethylocta-1,6-diene
CID 13122887
(4Z)-3,9-dimethyldeca-1,4,8-trien-3-ol
CID 24977374
(3S,6E)-3,7-dimethylnona-1,6-dien-3-ol
CID 38988672
3-ethyl-3,6-dimethylhepta-1,5-diene
CID 54216224
1,2-bis(ethenyl)benzene;3,7-dimethylocta-1,6-dien-3-ol
CID 160961058
3,7-dimethylocta-1,6-diene-1,3-diol;2,6-dimethyloct-7-ene-2,6-diol
CID 161231365
3,6-dimethylocta-1,7-diene-3,6-diol
CID 57150044
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol
CID 10734640

Frequently Asked Questions

What is the IUPAC name of 3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol?
The IUPAC name of 3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol (CID 160907821) is 3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol.
What is the SMILES notation for 3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol?
The canonical SMILES for 3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol is C=CC(C)(O)CC.CC(C)=CCCO.
What is the InChIKey of 3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol?
The InChIKey is SQJKUQXZDKSEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H12O/c1-6(2)4-3-5-7;1-4-6(3,7)5-2/h4,7H,3,5H2,1-2H3;4,7H,1,5H2,2-3H3.
What are the key properties of 3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol?
3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol has a molecular weight of 200.32 g/mol, XLogP of 2.67, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylpent-1-en-3-ol;4-methylpent-3-en-1-ol is sourced from PubChem (CID 160907821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).