3-methyladamantan-1-ol

C11H18O — CID 4071557

IUPAC3-methyladamantan-1-ol
SMILESCC12CC3CC(C1)CC(O)(C3)C2
InChIInChI=1S/C11H18O/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9,12H,2-7H2,1H3
InChIKeyPJBDPRVLKHVTCY-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.34
Rot. Bonds

About 3-methyladamantan-1-ol

3-methyladamantan-1-ol (PubChem CID 4071557) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 3-methyladamantan-1-ol.

Molecular Properties

Compound Name3-methyladamantan-1-ol
PubChem CID4071557
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name3-methyladamantan-1-ol
SMILESCC12CC3CC(C1)CC(O)(C3)C2
InChIInChI=1S/C11H18O/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9,12H,2-7H2,1H3
InChIKeyPJBDPRVLKHVTCY-UHFFFAOYSA-N
XLogP2.34
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 ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3-methyladamantan-1-ol?
The IUPAC name of 3-methyladamantan-1-ol (CID 4071557) is 3-methyladamantan-1-ol.
What is the SMILES notation for 3-methyladamantan-1-ol?
The canonical SMILES for 3-methyladamantan-1-ol is CC12CC3CC(C1)CC(O)(C3)C2.
What is the InChIKey of 3-methyladamantan-1-ol?
The InChIKey is PJBDPRVLKHVTCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c1-10-3-8-2-9(4-10)6-11(12,5-8)7-10/h8-9,12H,2-7H2,1H3.
What are the key properties of 3-methyladamantan-1-ol?
3-methyladamantan-1-ol has a molecular weight of 166.26 g/mol, XLogP of 2.34, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyladamantan-1-ol is sourced from PubChem (CID 4071557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).