1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene

C18H28 — CID 154060487

IUPAC1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene
SMILESCC(C)CC1CCCCC1C(C)c1ccccc1
InChIInChI=1S/C18H28/c1-14(2)13-17-11-7-8-12-18(17)15(3)16-9-5-4-6-10-16/h4-6,9-10,14-15,17-18H,7-8,11-13H2,1-3H3
InChIKeyDTXYHONUUFHFNA-UHFFFAOYSA-N
MW244.42 g/mol
LogP5.64
Rot. Bonds4

About 1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene

1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene (PubChem CID 154060487) has the molecular formula C18H28 and a molecular weight of 244.42 g/mol. Its IUPAC name is 1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene.

Molecular Properties

Compound Name1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene
PubChem CID154060487
Molecular FormulaC18H28
Molecular Weight244.42 g/mol
Exact Mass244.22
IUPAC Name1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene
SMILESCC(C)CC1CCCCC1C(C)c1ccccc1
InChIInChI=1S/C18H28/c1-14(2)13-17-11-7-8-12-18(17)15(3)16-9-5-4-6-10-16/h4-6,9-10,14-15,17-18H,7-8,11-13H2,1-3H3
InChIKeyDTXYHONUUFHFNA-UHFFFAOYSA-N
XLogP5.64
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500244.42
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene?
The IUPAC name of 1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene (CID 154060487) is 1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene.
What is the SMILES notation for 1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene?
The canonical SMILES for 1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene is CC(C)CC1CCCCC1C(C)c1ccccc1.
What is the InChIKey of 1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene?
The InChIKey is DTXYHONUUFHFNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28/c1-14(2)13-17-11-7-8-12-18(17)15(3)16-9-5-4-6-10-16/h4-6,9-10,14-15,17-18H,7-8,11-13H2,1-3H3.
What are the key properties of 1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene?
1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene has a molecular weight of 244.42 g/mol, XLogP of 5.64, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methylpropyl)cyclohexyl]ethylbenzene is sourced from PubChem (CID 154060487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).