1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene

C21H34 — CID 142885286

IUPAC1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene
SMILESCCc1cccc(C2(C(C)C)CCCCC2CC(C)C)c1
InChIInChI=1S/C21H34/c1-6-18-10-9-12-20(15-18)21(17(4)5)13-8-7-11-19(21)14-16(2)3/h9-10,12,15-17,19H,6-8,11,13-14H2,1-5H3
InChIKeyDXRUWWVWAMOQLT-UHFFFAOYSA-N
MW286.50 g/mol
LogP6.38
Rot. Bonds5

About 1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene

1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene (PubChem CID 142885286) has the molecular formula C21H34 and a molecular weight of 286.50 g/mol. Its IUPAC name is 1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene.

Molecular Properties

Compound Name1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene
PubChem CID142885286
Molecular FormulaC21H34
Molecular Weight286.50 g/mol
Exact Mass286.27
IUPAC Name1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene
SMILESCCc1cccc(C2(C(C)C)CCCCC2CC(C)C)c1
InChIInChI=1S/C21H34/c1-6-18-10-9-12-20(15-18)21(17(4)5)13-8-7-11-19(21)14-16(2)3/h9-10,12,15-17,19H,6-8,11,13-14H2,1-5H3
InChIKeyDXRUWWVWAMOQLT-UHFFFAOYSA-N
XLogP6.38
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500286.50
LogP ≤ 56.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene?
The IUPAC name of 1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene (CID 142885286) is 1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene.
What is the SMILES notation for 1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene?
The canonical SMILES for 1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene is CCc1cccc(C2(C(C)C)CCCCC2CC(C)C)c1.
What is the InChIKey of 1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene?
The InChIKey is DXRUWWVWAMOQLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34/c1-6-18-10-9-12-20(15-18)21(17(4)5)13-8-7-11-19(21)14-16(2)3/h9-10,12,15-17,19H,6-8,11,13-14H2,1-5H3.
What are the key properties of 1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene?
1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene has a molecular weight of 286.50 g/mol, XLogP of 6.38, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[2-(2-methylpropyl)-1-propan-2-ylcyclohexyl]benzene is sourced from PubChem (CID 142885286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).