4-methyl-3-methylidenehexane-1,2-diol

C8H16O2 — CID 12022119

IUPAC4-methyl-3-methylidenehexane-1,2-diol
SMILESC=C(C(C)CC)C(O)CO
InChIInChI=1S/C8H16O2/c1-4-6(2)7(3)8(10)5-9/h6,8-10H,3-5H2,1-2H3
InChIKeyPKAOPYYCULNYBC-UHFFFAOYSA-N
MW144.21 g/mol
LogP0.94
Rot. Bonds4

About 4-methyl-3-methylidenehexane-1,2-diol

4-methyl-3-methylidenehexane-1,2-diol (PubChem CID 12022119) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 4-methyl-3-methylidenehexane-1,2-diol.

Molecular Properties

Compound Name4-methyl-3-methylidenehexane-1,2-diol
PubChem CID12022119
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name4-methyl-3-methylidenehexane-1,2-diol
SMILESC=C(C(C)CC)C(O)CO
InChIInChI=1S/C8H16O2/c1-4-6(2)7(3)8(10)5-9/h6,8-10H,3-5H2,1-2H3
InChIKeyPKAOPYYCULNYBC-UHFFFAOYSA-N
XLogP0.94
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.21
LogP ≤ 50.94
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

7-Octene-1,6-diol, 3,7-dimethyl-
CID 90790
4-Ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 21630873
(-)-5-Methyl-2-(1-methylethenyl)-5-hexene-1,4-diol
CID 21575640
(2R,4R)-5-methyl-2-prop-1-en-2-ylhex-5-ene-1,4-diol
CID 641670
(2S,7R,11R)-7,11,15-trimethyl-3-methylidenehexadecane-1,2-diol
CID 124413846
(3R,4S)-4-ethenyl-5-methyl-2-methylidenehex-5-ene-1,3-diol
CID 162946531
(3S,4R)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 162974269
(3R,4S)-4-ethenyl-2,5-dimethylhexa-1,5-dien-3-ol
CID 162974271
(3R,4R)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 162979485
(2S,7S,11S)-7,11,15-trimethyl-3-methylidenehexadecane-1,2-diol
CID 163002811
(3S,4S)-4-ethenyl-2,5-dimethylhex-5-ene-2,3-diol
CID 163189878
7,11,15-Trimethyl-3-methylidenehexadecane-1,2-diol
CID 10638889

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-methylidenehexane-1,2-diol?
The IUPAC name of 4-methyl-3-methylidenehexane-1,2-diol (CID 12022119) is 4-methyl-3-methylidenehexane-1,2-diol.
What is the SMILES notation for 4-methyl-3-methylidenehexane-1,2-diol?
The canonical SMILES for 4-methyl-3-methylidenehexane-1,2-diol is C=C(C(C)CC)C(O)CO.
What is the InChIKey of 4-methyl-3-methylidenehexane-1,2-diol?
The InChIKey is PKAOPYYCULNYBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-6(2)7(3)8(10)5-9/h6,8-10H,3-5H2,1-2H3.
What are the key properties of 4-methyl-3-methylidenehexane-1,2-diol?
4-methyl-3-methylidenehexane-1,2-diol has a molecular weight of 144.21 g/mol, XLogP of 0.94, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-methylidenehexane-1,2-diol is sourced from PubChem (CID 12022119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).