3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane

C18H32O — CID 126615139

IUPAC3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane
SMILESCC(OC1CCCCC1)C1(C)CC2CCCC(C2)C1
InChIInChI=1S/C18H32O/c1-14(19-17-9-4-3-5-10-17)18(2)12-15-7-6-8-16(11-15)13-18/h14-17H,3-13H2,1-2H3
InChIKeyPAJWKXBAULSTQK-UHFFFAOYSA-N
MW264.45 g/mol
LogP5.33
Rot. Bonds3

About 3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane

3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane (PubChem CID 126615139) has the molecular formula C18H32O and a molecular weight of 264.45 g/mol. Its IUPAC name is 3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane.

Molecular Properties

Compound Name3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane
PubChem CID126615139
Molecular FormulaC18H32O
Molecular Weight264.45 g/mol
Exact Mass264.25
IUPAC Name3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane
SMILESCC(OC1CCCCC1)C1(C)CC2CCCC(C2)C1
InChIInChI=1S/C18H32O/c1-14(19-17-9-4-3-5-10-17)18(2)12-15-7-6-8-16(11-15)13-18/h14-17H,3-13H2,1-2H3
InChIKeyPAJWKXBAULSTQK-UHFFFAOYSA-N
XLogP5.33
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500264.45
LogP ≤ 55.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze 3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-methyl-3-(1-propan-2-yloxyethyl)bicyclo[3.3.1]nonane
CID 126615138
propan-2-yloxycycloundecane
CID 91254526
ethane;propan-2-yloxycyclobutane;propan-2-yloxycyclohexane;propan-2-yloxycyclopropane
CID 158392294
(1-cyclohexyloxy-2-methylpropoxy)cyclohexane
CID 20788615
bicyclo[5.3.1]undecane
CID 14399147
1-propan-2-yloxyethoxycycloundecane
CID 21496393
bicyclo[4.3.1]decane
CID 12592588
(1S,6R)-bicyclo[4.3.1]decane
CID 58154231
cyclohexyloxy(1-methoxyethoxy)methanol
CID 155312162
1-(1-adamantyl)-2-cycloheptyloxyethanol
CID 63466841
6,6-dimethylbicyclo[3.2.1]octane
CID 154531364
1,3-bis(2-methylpropoxy)cyclohexane
CID 142724775

Frequently Asked Questions

What is the IUPAC name of 3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane?
The IUPAC name of 3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane (CID 126615139) is 3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane.
What is the SMILES notation for 3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane?
The canonical SMILES for 3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane is CC(OC1CCCCC1)C1(C)CC2CCCC(C2)C1.
What is the InChIKey of 3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane?
The InChIKey is PAJWKXBAULSTQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O/c1-14(19-17-9-4-3-5-10-17)18(2)12-15-7-6-8-16(11-15)13-18/h14-17H,3-13H2,1-2H3.
What are the key properties of 3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane?
3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane has a molecular weight of 264.45 g/mol, XLogP of 5.33, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-cyclohexyloxyethyl)-3-methylbicyclo[3.3.1]nonane is sourced from PubChem (CID 126615139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).