methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene

C22H30 — CID 173358944

IUPACmethane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
SMILESC.CC1CC(C)(C)CC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C21H26.CH4/c1-17-14-20(2,3)16-21(15-17,18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-13,17H,14-16H2,1-3H3;1H4
InChIKeySDWRCLDGYBZLDV-UHFFFAOYSA-N
MW294.48 g/mol
LogP6.45
Rot. Bonds2

About methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene

methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene (PubChem CID 173358944) has the molecular formula C22H30 and a molecular weight of 294.48 g/mol. Its IUPAC name is methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene.

Molecular Properties

Compound Namemethane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
PubChem CID173358944
Molecular FormulaC22H30
Molecular Weight294.48 g/mol
Exact Mass294.23
IUPAC Namemethane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
SMILESC.CC1CC(C)(C)CC(c2ccccc2)(c2ccccc2)C1
InChIInChI=1S/C21H26.CH4/c1-17-14-20(2,3)16-21(15-17,18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-13,17H,14-16H2,1-3H3;1H4
InChIKeySDWRCLDGYBZLDV-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500294.48
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

benzene;benzylbenzene;1,1'-biphenyl;ethane;methane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
CID 157060518
1-tert-butyl-4-[1-(4-tert-butylphenyl)-3,3,5-trimethylcyclohexyl]benzene
CID 140618544
benzene;benzylbenzene;1,1'-biphenyl;ethane;2-phenylpropan-2-ylbenzene;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene
CID 158985546
3-(3,3,5-trimethyl-1-thiophen-3-ylcyclohexyl)thiophene
CID 142418474
4-[1-(4-carbonochloridoylphenyl)-3,3,5-trimethylcyclohexyl]benzoyl chloride
CID 14833076
3-[1-(3-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol;2-phenylbicyclo[2.2.0]hexa-1,3,5-triene
CID 174744399
1-[1-[4-[4-(benzenesulfonyl)phenoxy]phenyl]-3,3,5-trimethylcyclohexyl]-4-methoxybenzene
CID 134524651
1,3-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;1,4-bis[2-(4-methoxyphenyl)propan-2-yl]benzene;methane;1-methoxy-4-[1-(4-methoxyphenyl)cyclohexyl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-1-phenylethyl]benzene;1-methoxy-4-[2-(4-methoxyphenyl)propan-2-yl]benzene;1-methoxy-4-[1-(4-methoxyphenyl)-3,3,5-trimethylcyclohexyl]benzene
CID 161095354
3,3,5-trimethyl-1-N,1-N'-diphenylcyclohexane-1,1-diamine
CID 142641903
carbonyl dichloride;4-[2-[3-[2-(4-hydroxyphenyl)propan-2-yl]phenyl]propan-2-yl]phenol;4-[1-(4-hydroxyphenyl)-3,3,5-trimethylcyclohexyl]phenol
CID 170852882
1-methoxy-4-[3,3,5-trimethyl-1-[4-[(1S)-2-methyl-1-phenyl-1-[4-[3,3,5-trimethyl-1-[4-[(2-methylpropan-2-yl)oxy]phenyl]cyclohexyl]phenoxy]propan-2-yl]oxyphenyl]cyclohexyl]benzene
CID 142994261
trans-(1S,2R)-2,4,4-trimethyl-1-phenylcyclopentan-1-ol
CID 124681224

Frequently Asked Questions

What is the IUPAC name of methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene?
The IUPAC name of methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene (CID 173358944) is methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene.
What is the SMILES notation for methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene?
The canonical SMILES for methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene is C.CC1CC(C)(C)CC(c2ccccc2)(c2ccccc2)C1.
What is the InChIKey of methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene?
The InChIKey is SDWRCLDGYBZLDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26.CH4/c1-17-14-20(2,3)16-21(15-17,18-10-6-4-7-11-18)19-12-8-5-9-13-19;/h4-13,17H,14-16H2,1-3H3;1H4.
What are the key properties of methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene?
methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene has a molecular weight of 294.48 g/mol, XLogP of 6.45, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(3,3,5-trimethyl-1-phenylcyclohexyl)benzene is sourced from PubChem (CID 173358944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).