2,5-dimethylhex-5-ene-1,1-diol

C8H16O2 — CID 88503199

IUPAC2,5-dimethylhex-5-ene-1,1-diol
SMILESC=C(C)CCC(C)C(O)O
InChIInChI=1S/C8H16O2/c1-6(2)4-5-7(3)8(9)10/h7-10H,1,4-5H2,2-3H3
InChIKeyVNLOYRCRTMDPIV-UHFFFAOYSA-N
MW144.21 g/mol
LogP1.29
Rot. Bonds4

About 2,5-dimethylhex-5-ene-1,1-diol

2,5-dimethylhex-5-ene-1,1-diol (PubChem CID 88503199) has the molecular formula C8H16O2 and a molecular weight of 144.21 g/mol. Its IUPAC name is 2,5-dimethylhex-5-ene-1,1-diol.

Molecular Properties

Compound Name2,5-dimethylhex-5-ene-1,1-diol
PubChem CID88503199
Molecular FormulaC8H16O2
Molecular Weight144.21 g/mol
Exact Mass144.12
IUPAC Name2,5-dimethylhex-5-ene-1,1-diol
SMILESC=C(C)CCC(C)C(O)O
InChIInChI=1S/C8H16O2/c1-6(2)4-5-7(3)8(9)10/h7-10H,1,4-5H2,2-3H3
InChIKeyVNLOYRCRTMDPIV-UHFFFAOYSA-N
XLogP1.29
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 ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 2,5-dimethylhex-5-ene-1,1-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 2,5-dimethylhex-5-ene-1,1-diol?
The IUPAC name of 2,5-dimethylhex-5-ene-1,1-diol (CID 88503199) is 2,5-dimethylhex-5-ene-1,1-diol.
What is the SMILES notation for 2,5-dimethylhex-5-ene-1,1-diol?
The canonical SMILES for 2,5-dimethylhex-5-ene-1,1-diol is C=C(C)CCC(C)C(O)O.
What is the InChIKey of 2,5-dimethylhex-5-ene-1,1-diol?
The InChIKey is VNLOYRCRTMDPIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O2/c1-6(2)4-5-7(3)8(9)10/h7-10H,1,4-5H2,2-3H3.
What are the key properties of 2,5-dimethylhex-5-ene-1,1-diol?
2,5-dimethylhex-5-ene-1,1-diol has a molecular weight of 144.21 g/mol, XLogP of 1.29, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethylhex-5-ene-1,1-diol is sourced from PubChem (CID 88503199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).