(3-methyl-1-adamantyl)methanol

C12H20O — CID 590910

IUPAC(3-methyl-1-adamantyl)methanol
SMILESCC12CC3CC(C1)CC(CO)(C3)C2
InChIInChI=1S/C12H20O/c1-11-3-9-2-10(4-11)6-12(5-9,7-11)8-13/h9-10,13H,2-8H2,1H3
InChIKeyJMYHSHBMMJZDNA-UHFFFAOYSA-N
MW180.29 g/mol
LogP2.59
Rot. Bonds1

About (3-methyl-1-adamantyl)methanol

(3-methyl-1-adamantyl)methanol (PubChem CID 590910) has the molecular formula C12H20O and a molecular weight of 180.29 g/mol. Its IUPAC name is (3-methyl-1-adamantyl)methanol.

Molecular Properties

Compound Name(3-methyl-1-adamantyl)methanol
PubChem CID590910
Molecular FormulaC12H20O
Molecular Weight180.29 g/mol
Exact Mass180.15
IUPAC Name(3-methyl-1-adamantyl)methanol
SMILESCC12CC3CC(C1)CC(CO)(C3)C2
InChIInChI=1S/C12H20O/c1-11-3-9-2-10(4-11)6-12(5-9,7-11)8-13/h9-10,13H,2-8H2,1H3
InChIKeyJMYHSHBMMJZDNA-UHFFFAOYSA-N
XLogP2.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.29
LogP ≤ 52.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3-methyl-1-adamantyl)methanol?
The IUPAC name of (3-methyl-1-adamantyl)methanol (CID 590910) is (3-methyl-1-adamantyl)methanol.
What is the SMILES notation for (3-methyl-1-adamantyl)methanol?
The canonical SMILES for (3-methyl-1-adamantyl)methanol is CC12CC3CC(C1)CC(CO)(C3)C2.
What is the InChIKey of (3-methyl-1-adamantyl)methanol?
The InChIKey is JMYHSHBMMJZDNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O/c1-11-3-9-2-10(4-11)6-12(5-9,7-11)8-13/h9-10,13H,2-8H2,1H3.
What are the key properties of (3-methyl-1-adamantyl)methanol?
(3-methyl-1-adamantyl)methanol has a molecular weight of 180.29 g/mol, XLogP of 2.59, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-1-adamantyl)methanol is sourced from PubChem (CID 590910), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).