(3-methyl-9-bicyclo[3.3.1]nonanyl)methanol

C11H20O — CID 115013486

IUPAC(3-methyl-9-bicyclo[3.3.1]nonanyl)methanol
SMILESCC1CC2CCCC(C1)C2CO
InChIInChI=1S/C11H20O/c1-8-5-9-3-2-4-10(6-8)11(9)7-12/h8-12H,2-7H2,1H3
InChIKeyLTRUJHCKFSQAQQ-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.44
Rot. Bonds1

About (3-methyl-9-bicyclo[3.3.1]nonanyl)methanol

(3-methyl-9-bicyclo[3.3.1]nonanyl)methanol (PubChem CID 115013486) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is (3-methyl-9-bicyclo[3.3.1]nonanyl)methanol.

Molecular Properties

Compound Name(3-methyl-9-bicyclo[3.3.1]nonanyl)methanol
PubChem CID115013486
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name(3-methyl-9-bicyclo[3.3.1]nonanyl)methanol
SMILESCC1CC2CCCC(C1)C2CO
InChIInChI=1S/C11H20O/c1-8-5-9-3-2-4-10(6-8)11(9)7-12/h8-12H,2-7H2,1H3
InChIKeyLTRUJHCKFSQAQQ-UHFFFAOYSA-N
XLogP2.44
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
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 (3-methyl-9-bicyclo[3.3.1]nonanyl)methanol?
The IUPAC name of (3-methyl-9-bicyclo[3.3.1]nonanyl)methanol (CID 115013486) is (3-methyl-9-bicyclo[3.3.1]nonanyl)methanol.
What is the SMILES notation for (3-methyl-9-bicyclo[3.3.1]nonanyl)methanol?
The canonical SMILES for (3-methyl-9-bicyclo[3.3.1]nonanyl)methanol is CC1CC2CCCC(C1)C2CO.
What is the InChIKey of (3-methyl-9-bicyclo[3.3.1]nonanyl)methanol?
The InChIKey is LTRUJHCKFSQAQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-8-5-9-3-2-4-10(6-8)11(9)7-12/h8-12H,2-7H2,1H3.
What are the key properties of (3-methyl-9-bicyclo[3.3.1]nonanyl)methanol?
(3-methyl-9-bicyclo[3.3.1]nonanyl)methanol has a molecular weight of 168.28 g/mol, XLogP of 2.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-methyl-9-bicyclo[3.3.1]nonanyl)methanol is sourced from PubChem (CID 115013486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).