2-methyladamantane-1,4-diol

C11H18O2 — CID 150043877

IUPAC2-methyladamantane-1,4-diol
SMILESCC1C2CC3CC(CC1(O)C3)C2O
InChIInChI=1S/C11H18O2/c1-6-9-3-7-2-8(10(9)12)5-11(6,13)4-7/h6-10,12-13H,2-5H2,1H3
InChIKeyDJWAJUVQTLDUCS-UHFFFAOYSA-N
MW182.26 g/mol
LogP1.16
Rot. Bonds

About 2-methyladamantane-1,4-diol

2-methyladamantane-1,4-diol (PubChem CID 150043877) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is 2-methyladamantane-1,4-diol.

Molecular Properties

Compound Name2-methyladamantane-1,4-diol
PubChem CID150043877
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name2-methyladamantane-1,4-diol
SMILESCC1C2CC3CC(CC1(O)C3)C2O
InChIInChI=1S/C11H18O2/c1-6-9-3-7-2-8(10(9)12)5-11(6,13)4-7/h6-10,12-13H,2-5H2,1H3
InChIKeyDJWAJUVQTLDUCS-UHFFFAOYSA-N
XLogP1.16
TPSA40.46 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 51.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 2-methyladamantane-1,4-diol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyladamantane-1,4-diol?
The IUPAC name of 2-methyladamantane-1,4-diol (CID 150043877) is 2-methyladamantane-1,4-diol.
What is the SMILES notation for 2-methyladamantane-1,4-diol?
The canonical SMILES for 2-methyladamantane-1,4-diol is CC1C2CC3CC(CC1(O)C3)C2O.
What is the InChIKey of 2-methyladamantane-1,4-diol?
The InChIKey is DJWAJUVQTLDUCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O2/c1-6-9-3-7-2-8(10(9)12)5-11(6,13)4-7/h6-10,12-13H,2-5H2,1H3.
What are the key properties of 2-methyladamantane-1,4-diol?
2-methyladamantane-1,4-diol has a molecular weight of 182.26 g/mol, XLogP of 1.16, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyladamantane-1,4-diol is sourced from PubChem (CID 150043877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).