2-adamantylmethanol

C11H18O — CID 13291731

IUPAC2-adamantylmethanol
SMILESOCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H18O/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-12H,1-6H2
InChIKeyDBUJFSXRBAWWSM-UHFFFAOYSA-N
MW166.26 g/mol
LogP2.05
Rot. Bonds1

About 2-adamantylmethanol

2-adamantylmethanol (PubChem CID 13291731) has the molecular formula C11H18O and a molecular weight of 166.26 g/mol. Its IUPAC name is 2-adamantylmethanol.

Molecular Properties

Compound Name2-adamantylmethanol
PubChem CID13291731
Molecular FormulaC11H18O
Molecular Weight166.26 g/mol
Exact Mass166.14
IUPAC Name2-adamantylmethanol
SMILESOCC1C2CC3CC(C2)CC1C3
InChIInChI=1S/C11H18O/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-12H,1-6H2
InChIKeyDBUJFSXRBAWWSM-UHFFFAOYSA-N
XLogP2.05
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500166.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-adamantylmethanol?
The IUPAC name of 2-adamantylmethanol (CID 13291731) is 2-adamantylmethanol.
What is the SMILES notation for 2-adamantylmethanol?
The canonical SMILES for 2-adamantylmethanol is OCC1C2CC3CC(C2)CC1C3.
What is the InChIKey of 2-adamantylmethanol?
The InChIKey is DBUJFSXRBAWWSM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O/c12-6-11-9-2-7-1-8(4-9)5-10(11)3-7/h7-12H,1-6H2.
What are the key properties of 2-adamantylmethanol?
2-adamantylmethanol has a molecular weight of 166.26 g/mol, XLogP of 2.05, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-adamantylmethanol is sourced from PubChem (CID 13291731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).