5-methylideneheptane-2,4-diol

C8H16O2 — CID 140987994

IUPAC5-methylideneheptane-2,4-diol
SMILESC=C(CC)C(O)CC(C)O
InChIInChI=1S/C8H16O2/c1-4-6(2)8(10)5-7(3)9/h7-10H,2,4-5H2,1,3H3
InChIKeyFQWLIAWHQVEYDD-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.08
Rot. Bonds4

About 5-methylideneheptane-2,4-diol

5-methylideneheptane-2,4-diol (PubChem CID 140987994) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 5-methylideneheptane-2,4-diol.

Molecular Properties

Compound Name5-methylideneheptane-2,4-diol
PubChem CID140987994
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name5-methylideneheptane-2,4-diol
SMILESC=C(CC)C(O)CC(C)O
InChIInChI=1S/C8H16O2/c1-4-6(2)8(10)5-7(3)9/h7-10H,2,4-5H2,1,3H3
InChIKeyFQWLIAWHQVEYDD-UHFFFAOYSA-N
XLogP1.08
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 ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 5-methylideneheptane-2,4-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2S,3S)-3-methyl-4-methylidenehexan-2-ol
CID 130747070
(4R)-5-methylidenehept-1-en-4-ol
CID 130622308
3,5-dihydroxy-2-methylidenehexanoic acid
CID 57105026
3-methylidenepentane-2-thiol
CID 57045878
2-fluoro-3-methylidenepentane
CID 89209317
2-bromo-3-methylidenepentane
CID 88691030
aluminum butan-2-ol
CID 23623700
tris(pentane-2,4-diol);ruthenium
CID 5231187
copper bis(pentane-2,4-diol)
CID 135036707
pentakis(butan-2-ol);molybdenum
CID 152613437
europium;tetrakis(pentane-2,4-diol)
CID 59946569
palladium;bis(pentane-2,4-diol)
CID 58773675

Frequently Asked Questions

What is the IUPAC name of 5-methylideneheptane-2,4-diol?
The IUPAC name of 5-methylideneheptane-2,4-diol (CID 140987994) is 5-methylideneheptane-2,4-diol.
What is the SMILES notation for 5-methylideneheptane-2,4-diol?
The canonical SMILES for 5-methylideneheptane-2,4-diol is C=C(CC)C(O)CC(C)O.
What is the InChIKey of 5-methylideneheptane-2,4-diol?
The InChIKey is FQWLIAWHQVEYDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-4-6(2)8(10)5-7(3)9/h7-10H,2,4-5H2,1,3H3.
What are the key properties of 5-methylideneheptane-2,4-diol?
5-methylideneheptane-2,4-diol has a molecular weight of 144.21 g/mol, XLogP of 1.08, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methylideneheptane-2,4-diol is sourced from PubChem (CID 140987994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).