(3-ethyl-3,5-dimethylcyclohexyl)benzene

C16H24 — CID 20692192

IUPAC(3-ethyl-3,5-dimethylcyclohexyl)benzene
SMILESCCC1(C)CC(C)CC(c2ccccc2)C1
InChIInChI=1S/C16H24/c1-4-16(3)11-13(2)10-15(12-16)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3
InChIKeyNCIMECMZNMDYKV-UHFFFAOYSA-N
MW216.37 g/mol
LogP5.01
Rot. Bonds2

About (3-ethyl-3,5-dimethylcyclohexyl)benzene

(3-ethyl-3,5-dimethylcyclohexyl)benzene (PubChem CID 20692192) has the molecular formula C16H24 and a molecular weight of 216.37 g/mol. Its IUPAC name is (3-ethyl-3,5-dimethylcyclohexyl)benzene.

Molecular Properties

Compound Name(3-ethyl-3,5-dimethylcyclohexyl)benzene
PubChem CID20692192
Molecular FormulaC16H24
Molecular Weight216.37 g/mol
Exact Mass216.19
IUPAC Name(3-ethyl-3,5-dimethylcyclohexyl)benzene
SMILESCCC1(C)CC(C)CC(c2ccccc2)C1
InChIInChI=1S/C16H24/c1-4-16(3)11-13(2)10-15(12-16)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3
InChIKeyNCIMECMZNMDYKV-UHFFFAOYSA-N
XLogP5.01
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500216.37
LogP ≤ 55.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

(3-methylcyclopentyl)benzene;propane
CID 142973096
1,5-diethyl-1,3,5,7-tetramethylcyclooctane
CID 158662889
[(1S,3R)-3-methylcyclohexyl]benzene
CID 134965435
N-ethyl-3-phenylbicyclo[3.1.0]hexan-1-amine
CID 69280900
(1R,3R,5R)-5-(aminomethyl)-5-methyl-3-phenylcyclooctan-1-ol
CID 110129632
benzene;ethane;1-ethyl-1,3,3,5-tetramethylcyclohexane
CID 158757450
2,2,6,6-tetramethyl-4-phenylpiperidine
CID 11481361
(5R)-1,3-dimethyl-5-phenylpiperidine
CID 166738745
N,3-dimethyl-5-phenylcyclohexan-1-amine
CID 115707725
(3R,5S)-1,3-dimethyl-5-phenylpiperidine
CID 134927538
(2-ethyl-2-methylcyclobutyl)benzene
CID 173466674
(1-methyl-4-phenylcyclohexyl)benzene
CID 164683262

Frequently Asked Questions

What is the IUPAC name of (3-ethyl-3,5-dimethylcyclohexyl)benzene?
The IUPAC name of (3-ethyl-3,5-dimethylcyclohexyl)benzene (CID 20692192) is (3-ethyl-3,5-dimethylcyclohexyl)benzene.
What is the SMILES notation for (3-ethyl-3,5-dimethylcyclohexyl)benzene?
The canonical SMILES for (3-ethyl-3,5-dimethylcyclohexyl)benzene is CCC1(C)CC(C)CC(c2ccccc2)C1.
What is the InChIKey of (3-ethyl-3,5-dimethylcyclohexyl)benzene?
The InChIKey is NCIMECMZNMDYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24/c1-4-16(3)11-13(2)10-15(12-16)14-8-6-5-7-9-14/h5-9,13,15H,4,10-12H2,1-3H3.
What are the key properties of (3-ethyl-3,5-dimethylcyclohexyl)benzene?
(3-ethyl-3,5-dimethylcyclohexyl)benzene has a molecular weight of 216.37 g/mol, XLogP of 5.01, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-ethyl-3,5-dimethylcyclohexyl)benzene is sourced from PubChem (CID 20692192), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).