3-methylhept-4-en-2-ol

C8H16O — CID 90779417

IUPAC3-methylhept-4-en-2-ol
SMILESCCC=CC(C)C(C)O
InChIInChI=1S/C8H16O/c1-4-5-6-7(2)8(3)9/h5-9H,4H2,1-3H3
InChIKeyRBHKMEQWVYREPZ-UHFFFAOYSA-N
MW128.21 g/mol
LogP1.97
Rot. Bonds3

About 3-methylhept-4-en-2-ol

3-methylhept-4-en-2-ol (PubChem CID 90779417) has the molecular formula C8H16O and a molecular weight of 128.21 g/mol. Its IUPAC name is 3-methylhept-4-en-2-ol.

Molecular Properties

Compound Name3-methylhept-4-en-2-ol
PubChem CID90779417
Molecular FormulaC8H16O
Molecular Weight128.21 g/mol
Exact Mass128.12
IUPAC Name3-methylhept-4-en-2-ol
SMILESCCC=CC(C)C(C)O
InChIInChI=1S/C8H16O/c1-4-5-6-7(2)8(3)9/h5-9H,4H2,1-3H3
InChIKeyRBHKMEQWVYREPZ-UHFFFAOYSA-N
XLogP1.97
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 ≤ 51.97
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

hept-4-ene-2,3-diol
CID 54484674
(E,3R)-2-methylhept-4-en-3-ol
CID 59911150
2-methylhept-4-en-3-ol
CID 54499499
(E,2S,3S)-3-methylundec-4-en-2-ol
CID 10465011
(E)-3,4-dimethyloct-5-enoic acid
CID 155168739
1-chloropent-2-en-1-ol
CID 141457215
(E,3R)-hept-4-en-3-ol
CID 11007865
(Z,3R)-2-N,3-dimethylhept-4-ene-1,2-diamine
CID 134291651
(E)-2-methylhept-4-ene-1,3-diol
CID 14758919
(Z)-2-methylhex-3-en-1-ol
CID 15174591
octa-3,5-dien-2-ol
CID 543636
(Z)-5-methylhept-3-ene
CID 5364727

Frequently Asked Questions

What is the IUPAC name of 3-methylhept-4-en-2-ol?
The IUPAC name of 3-methylhept-4-en-2-ol (CID 90779417) is 3-methylhept-4-en-2-ol.
What is the SMILES notation for 3-methylhept-4-en-2-ol?
The canonical SMILES for 3-methylhept-4-en-2-ol is CCC=CC(C)C(C)O.
What is the InChIKey of 3-methylhept-4-en-2-ol?
The InChIKey is RBHKMEQWVYREPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O/c1-4-5-6-7(2)8(3)9/h5-9H,4H2,1-3H3.
What are the key properties of 3-methylhept-4-en-2-ol?
3-methylhept-4-en-2-ol has a molecular weight of 128.21 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methylhept-4-en-2-ol is sourced from PubChem (CID 90779417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).