4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol

C16H30O — CID 139393131

IUPAC4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol
SMILESCC(C)CCC(O)C1CC2CCCC(C)(C2)C1
InChIInChI=1S/C16H30O/c1-12(2)6-7-15(17)14-9-13-5-4-8-16(3,10-13)11-14/h12-15,17H,4-11H2,1-3H3
InChIKeyOEICYJDEUPAMEC-UHFFFAOYSA-N
MW238.41 g/mol
LogP4.39
Rot. Bonds4

About 4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol

4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol (PubChem CID 139393131) has the molecular formula C16H30O and a molecular weight of 238.41 g/mol. Its IUPAC name is 4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol.

Molecular Properties

Compound Name4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol
PubChem CID139393131
Molecular FormulaC16H30O
Molecular Weight238.41 g/mol
Exact Mass238.23
IUPAC Name4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol
SMILESCC(C)CCC(O)C1CC2CCCC(C)(C2)C1
InChIInChI=1S/C16H30O/c1-12(2)6-7-15(17)14-9-13-5-4-8-16(3,10-13)11-14/h12-15,17H,4-11H2,1-3H3
InChIKeyOEICYJDEUPAMEC-UHFFFAOYSA-N
XLogP4.39
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.41
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-(3-methylbutyl)-3-propan-2-ylbicyclo[3.3.1]nonane
CID 158792530
1-(2,2-dimethylcyclopropyl)-4-methylpentan-1-ol
CID 107005279
4-methyl-1-[(3R)-3-methylcyclohexyl]pentan-1-ol
CID 142020091
1,4-dimethylbicyclo[2.2.2]octane;2,5-dimethylhexane;ethane;methane
CID 156836779
1-(3,3-difluorocyclohexyl)-3,5-dimethylhexan-1-ol
CID 114215688
1-[3,3-bis(hydroxymethyl)cyclohexyl]propane-1,3-diol
CID 175237317
1-methyl-3-(3-methylbutyl)cyclohexan-1-ol
CID 18356810
1-cyclohexylpentane-1,4-diol
CID 11446772
4-methyl-1-(thiolan-2-yl)pentan-1-ol
CID 80622430
5-methyl-1-(3-methylcyclopentyl)hexan-1-ol
CID 83161755
1-cycloheptyl-5-methylhexan-2-ol
CID 115783773
[1-[[bis(3-methylbutyl)amino]methyl]-3-methylcyclohexyl]methanol
CID 107871199

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol?
The IUPAC name of 4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol (CID 139393131) is 4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol.
What is the SMILES notation for 4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol?
The canonical SMILES for 4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol is CC(C)CCC(O)C1CC2CCCC(C)(C2)C1.
What is the InChIKey of 4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol?
The InChIKey is OEICYJDEUPAMEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O/c1-12(2)6-7-15(17)14-9-13-5-4-8-16(3,10-13)11-14/h12-15,17H,4-11H2,1-3H3.
What are the key properties of 4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol?
4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol has a molecular weight of 238.41 g/mol, XLogP of 4.39, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(1-methyl-3-bicyclo[3.3.1]nonanyl)pentan-1-ol is sourced from PubChem (CID 139393131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).