1-methyladamantan-2-ol

C11H18O — CID 12697517

IUPAC1-methyladamantan-2-ol
SMILESCC12CC3CC(CC(C3)C1O)C2
InChIInChI=1S/C11H18O/c1-11-5-7-2-8(6-11)4-9(3-7)10(11)12/h7-10,12H,2-6H2,1H3
InChIKeyWAWDOXBVBCAQBE-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.19
Rot. Bonds

About 1-methyladamantan-2-ol

1-methyladamantan-2-ol (PubChem CID 12697517) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 1-methyladamantan-2-ol.

Molecular Properties

Compound Name1-methyladamantan-2-ol
PubChem CID12697517
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name1-methyladamantan-2-ol
SMILESCC12CC3CC(CC(C3)C1O)C2
InChIInChI=1S/C11H18O/c1-11-5-7-2-8(6-11)4-9(3-7)10(11)12/h7-10,12H,2-6H2,1H3
InChIKeyWAWDOXBVBCAQBE-UHFFFAOYSA-N
XLogP2.19
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-methyladamantan-2-ol?
The IUPAC name of 1-methyladamantan-2-ol (CID 12697517) is 1-methyladamantan-2-ol.
What is the SMILES notation for 1-methyladamantan-2-ol?
The canonical SMILES for 1-methyladamantan-2-ol is CC12CC3CC(CC(C3)C1O)C2.
What is the InChIKey of 1-methyladamantan-2-ol?
The InChIKey is WAWDOXBVBCAQBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-11-5-7-2-8(6-11)4-9(3-7)10(11)12/h7-10,12H,2-6H2,1H3.
What are the key properties of 1-methyladamantan-2-ol?
1-methyladamantan-2-ol has a molecular weight of 166.26 g/mol, XLogP of 2.19, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyladamantan-2-ol is sourced from PubChem (CID 12697517), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).