adamantane;methanol

C11H20O — CID 21094834

IUPACadamantane;methanol
SMILESC1C2CC3CC1CC(C2)C3.CO
InChIInChI=1S/C10H16.CH4O/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2/h7-10H,1-6H2;2H,1H3
InChIKeyCOIAICMKOFRKAQ-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.44
Rot. Bonds

About adamantane;methanol

adamantane;methanol (PubChem CID 21094834) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is adamantane;methanol.

Molecular Properties

Compound Nameadamantane;methanol
PubChem CID21094834
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Nameadamantane;methanol
SMILESC1C2CC3CC1CC(C2)C3.CO
InChIInChI=1S/C10H16.CH4O/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2/h7-10H,1-6H2;2H,1H3
InChIKeyCOIAICMKOFRKAQ-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of adamantane;methanol?
The IUPAC name of adamantane;methanol (CID 21094834) is adamantane;methanol.
What is the SMILES notation for adamantane;methanol?
The canonical SMILES for adamantane;methanol is C1C2CC3CC1CC(C2)C3.CO.
What is the InChIKey of adamantane;methanol?
The InChIKey is COIAICMKOFRKAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16.CH4O/c1-7-2-9-4-8(1)5-10(3-7)6-9;1-2/h7-10H,1-6H2;2H,1H3.
What are the key properties of adamantane;methanol?
adamantane;methanol has a molecular weight of 168.28 g/mol, XLogP of 2.44, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for adamantane;methanol is sourced from PubChem (CID 21094834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).