(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene

C17H26O — CID 121352123

IUPAC(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
SMILESCC1(C)CCCC(C)(C)C1OCc1ccccc1
InChIInChI=1S/C17H26O/c1-16(2)11-8-12-17(3,4)15(16)18-13-14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3
InChIKeyXZAXXYFOOLZSPB-UHFFFAOYSA-N
MW246.39 g/mol
LogP4.81
Rot. Bonds3

About (2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene

(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene (PubChem CID 121352123) has the molecular formula C17H26O and a molecular weight of 246.39 g/mol. Its IUPAC name is (2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene.

Molecular Properties

Compound Name(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
PubChem CID121352123
Molecular FormulaC17H26O
Molecular Weight246.39 g/mol
Exact Mass246.20
IUPAC Name(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene
SMILESCC1(C)CCCC(C)(C)C1OCc1ccccc1
InChIInChI=1S/C17H26O/c1-16(2)11-8-12-17(3,4)15(16)18-13-14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3
InChIKeyXZAXXYFOOLZSPB-UHFFFAOYSA-N
XLogP4.81
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.39
LogP ≤ 54.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene 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

benzyl 2-ethoxy-1,3,3-trimethylcyclohexane-1-carboxylate
CID 146647630
(4R)-3,3-dimethyl-4-phenylmethoxyoxolane
CID 68901005
[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
[(1R,2R)-2-methoxy-2-methylcyclopentyl]oxymethylbenzene
CID 101022105
cis-(1S,2S)-1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 167259654
1-methyl-2-phenylmethoxycyclobutan-1-ol
CID 154122310
6',12'-Bis(benzyloxy)-dispiro(cyclohexane-1,3'-{2',4',8',10'-tetraoxatricyclo[7.4.3.0.0~7,11~]dodecane}-9',1''-cyclohexane)
CID 5051546
(2R,3R,5R,6S)-1-methyl-2,3,4,5,6-pentakis(phenylmethoxy)cyclohexan-1-ol
CID 102432631
(1,2-dimethyl-3-phenylmethoxycyclopropyl)oxymethylbenzene
CID 90999367
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
CID 58078794
(2-phenylmethoxycyclopentyl)oxymethylbenzene
CID 14085268
[(1R,2R)-2-methyl-2-phenylcyclopropyl]oxymethylbenzene
CID 100970284

Frequently Asked Questions

What is the IUPAC name of (2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene?
The IUPAC name of (2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene (CID 121352123) is (2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene.
What is the SMILES notation for (2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene?
The canonical SMILES for (2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene is CC1(C)CCCC(C)(C)C1OCc1ccccc1.
What is the InChIKey of (2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene?
The InChIKey is XZAXXYFOOLZSPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O/c1-16(2)11-8-12-17(3,4)15(16)18-13-14-9-6-5-7-10-14/h5-7,9-10,15H,8,11-13H2,1-4H3.
What are the key properties of (2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene?
(2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene has a molecular weight of 246.39 g/mol, XLogP of 4.81, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2,2,6,6-tetramethylcyclohexyl)oxymethylbenzene is sourced from PubChem (CID 121352123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).