3-methylhept-2-en-2-ol

C8H16O — CID 73309482

IUPAC3-methylhept-2-en-2-ol
SMILESCCCCC(C)=C(C)O
InChIInChI=1S/C8H16O/c1-4-5-6-7(2)8(3)9/h9H,4-6H2,1-3H3
InChIKeyOXYJVBXXMCVDSD-UHFFFAOYSA-N
MW128.21 g/mol
LogP3.03
Rot. Bonds3

About 3-methylhept-2-en-2-ol

3-methylhept-2-en-2-ol (PubChem CID 73309482) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3-methylhept-2-en-2-ol.

Molecular Properties

Compound Name3-methylhept-2-en-2-ol
PubChem CID73309482
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3-methylhept-2-en-2-ol
SMILESCCCCC(C)=C(C)O
InChIInChI=1S/C8H16O/c1-4-5-6-7(2)8(3)9/h9H,4-6H2,1-3H3
InChIKeyOXYJVBXXMCVDSD-UHFFFAOYSA-N
XLogP3.03
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.21
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

carbonic acid;2,3-dimethylhept-2-ene
CID 159232241
3-methylhept-2-en-2-amine
CID 87258436
(2Z)-2-(1-hydroxyethylidene)hexanoic acid
CID 54715870
8,9-dimethylhexadec-8-ene
CID 140717938
2,3,4-trimethyloct-3-ene
CID 123315350
3,4-dimethylocta-1,3-diene
CID 54003351
acetic acid;pentanoic acid
CID 87061456
2,3-dimethyltridec-2-ene
CID 22376033
(3Z)-3-(1-hydroxyethylidene)heptan-2-one;(2Z)-2-(1-hydroxyethylidene)hexanoic acid;oxovanadium
CID 54715869
8,9,10,11,12,13-hexamethyloctadeca-8,10,12-trienoic acid
CID 76806274
2,3-dimethylhept-2-ene;ethane;2-methylbutane
CID 163368789
2-hydroxy-3-propylhept-2-enoic acid
CID 173086337

Frequently Asked Questions

What is the IUPAC name of 3-methylhept-2-en-2-ol?
The IUPAC name of 3-methylhept-2-en-2-ol (CID 73309482) is 3-methylhept-2-en-2-ol.
What is the SMILES notation for 3-methylhept-2-en-2-ol?
The canonical SMILES for 3-methylhept-2-en-2-ol is CCCCC(C)=C(C)O.
What is the InChIKey of 3-methylhept-2-en-2-ol?
The InChIKey is OXYJVBXXMCVDSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-5-6-7(2)8(3)9/h9H,4-6H2,1-3H3.
What are the key properties of 3-methylhept-2-en-2-ol?
3-methylhept-2-en-2-ol has a molecular weight of 128.21 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhept-2-en-2-ol is sourced from PubChem (CID 73309482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).