[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene

C18H28O — CID 58078794

IUPAC[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
SMILESCC1C(C)[C@@H](C)C(OCc2ccccc2)C(C)[C@H]1C
InChIInChI=1S/C18H28O/c1-12-13(2)15(4)18(16(5)14(12)3)19-11-17-9-7-6-8-10-17/h6-10,12-16,18H,11H2,1-5H3/t12?,13-,14?,15?,16+,18?/m0/s1
InChIKeyPSYIONLWPMHKOP-KEEQNQQHSA-N
MW260.42 g/mol
LogP4.77
Rot. Bonds3

About [(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene

[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene (PubChem CID 58078794) has the molecular formula C18H28O and a molecular weight of 260.42 g/mol. Its IUPAC name is [(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene.

Molecular Properties

Compound Name[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
PubChem CID58078794
Molecular FormulaC18H28O
Molecular Weight260.42 g/mol
Exact Mass260.21
IUPAC Name[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene
SMILESCC1C(C)[C@@H](C)C(OCc2ccccc2)C(C)[C@H]1C
InChIInChI=1S/C18H28O/c1-12-13(2)15(4)18(16(5)14(12)3)19-11-17-9-7-6-8-10-17/h6-10,12-16,18H,11H2,1-5H3/t12?,13-,14?,15?,16+,18?/m0/s1
InChIKeyPSYIONLWPMHKOP-KEEQNQQHSA-N
XLogP4.77
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.42
LogP ≤ 54.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze [(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]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

[2,3,4,5,6-pentakis(phenylmethoxy)cyclohexyl]oxymethylbenzene
CID 10747453
(1R,2S,4S)-2,4-dimethyl-3,5,6-tris(phenylmethoxy)cyclohexan-1-ol
CID 118000060
(3S,4R,5R)-2,3,5-trimethyl-4-phenylmethoxyoxane
CID 158772730
azane;[(1R)-2-methylcyclopropyl]oxymethylbenzene
CID 66809677
2,4,5-trimethyl-3-phenylmethoxy-6-(phenylmethoxymethyl)oxane
CID 71099139
(1R,2R,3S,4S,5R,6S)-2,4-dimethyl-3-phenylmethoxy-8-oxabicyclo[3.2.1]octan-6-ol
CID 10869085
(1S,2S,3R,4R,5R,6R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 102195211
(1S,3R,4R)-3,4,5,6-tetrakis(phenylmethoxy)cyclohexane-1,2-diol
CID 59435860
(3R,4S,5R,6S)-5,6-dimethyl-4-phenylmethoxyoxan-3-ol
CID 122658990
1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
(2-methylcyclobutyl)oxymethylbenzene
CID 163589446
(1S,2R,3R,4R,5R)-5-methyl-2,3,4-tris(phenylmethoxy)cyclohexan-1-ol
CID 10025814

Frequently Asked Questions

What is the IUPAC name of [(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene?
The IUPAC name of [(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene (CID 58078794) is [(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene.
What is the SMILES notation for [(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene?
The canonical SMILES for [(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene is CC1C(C)[C@@H](C)C(OCc2ccccc2)C(C)[C@H]1C.
What is the InChIKey of [(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene?
The InChIKey is PSYIONLWPMHKOP-KEEQNQQHSA-N. The full InChI is InChI=1S/C18H28O/c1-12-13(2)15(4)18(16(5)14(12)3)19-11-17-9-7-6-8-10-17/h6-10,12-16,18H,11H2,1-5H3/t12?,13-,14?,15?,16+,18?/m0/s1.
What are the key properties of [(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene?
[(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene has a molecular weight of 260.42 g/mol, XLogP of 4.77, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R,5S)-2,3,4,5,6-pentamethylcyclohexyl]oxymethylbenzene is sourced from PubChem (CID 58078794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).