2-methylidenepentane-1,5-diol

C6H12O2 — CID 11073385

IUPAC2-methylidenepentane-1,5-diol
SMILESC=C(CO)CCCO
InChIInChI=1S/C6H12O2/c1-6(5-8)3-2-4-7/h7-8H,1-5H2
InChIKeyRWZHYFZPCKAFDG-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.31
Rot. Bonds4

About 2-methylidenepentane-1,5-diol

2-methylidenepentane-1,5-diol (PubChem CID 11073385) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-methylidenepentane-1,5-diol.

Molecular Properties

Compound Name2-methylidenepentane-1,5-diol
PubChem CID11073385
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-methylidenepentane-1,5-diol
SMILESC=C(CO)CCCO
InChIInChI=1S/C6H12O2/c1-6(5-8)3-2-4-7/h7-8H,1-5H2
InChIKeyRWZHYFZPCKAFDG-UHFFFAOYSA-N
XLogP0.31
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-methylidenepentane-1,5-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methylidenepentane-1,5-diol?
The IUPAC name of 2-methylidenepentane-1,5-diol (CID 11073385) is 2-methylidenepentane-1,5-diol.
What is the SMILES notation for 2-methylidenepentane-1,5-diol?
The canonical SMILES for 2-methylidenepentane-1,5-diol is C=C(CO)CCCO.
What is the InChIKey of 2-methylidenepentane-1,5-diol?
The InChIKey is RWZHYFZPCKAFDG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-6(5-8)3-2-4-7/h7-8H,1-5H2.
What are the key properties of 2-methylidenepentane-1,5-diol?
2-methylidenepentane-1,5-diol has a molecular weight of 116.16 g/mol, XLogP of 0.31, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methylidenepentane-1,5-diol is sourced from PubChem (CID 11073385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).