1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid

C20H30O2 — CID 19365403

IUPAC1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid
SMILESCc1ccc(C2(C3CCCCC3)CCCCC2)cc1.O=CO
InChIInChI=1S/C19H28.CH2O2/c1-16-10-12-18(13-11-16)19(14-6-3-7-15-19)17-8-4-2-5-9-17;2-1-3/h10-13,17H,2-9,14-15H2,1H3;1H,(H,2,3)
InChIKeyRHNLXAIBOGVZJT-UHFFFAOYSA-N
MW302.46 g/mol
LogP5.48
Rot. Bonds2

About 1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid

1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid (PubChem CID 19365403) has the molecular formula C20H30O2 and a molecular weight of 302.46 g/mol. Its IUPAC name is 1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid.

Molecular Properties

Compound Name1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid
PubChem CID19365403
Molecular FormulaC20H30O2
Molecular Weight302.46 g/mol
Exact Mass302.22
IUPAC Name1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid
SMILESCc1ccc(C2(C3CCCCC3)CCCCC2)cc1.O=CO
InChIInChI=1S/C19H28.CH2O2/c1-16-10-12-18(13-11-16)19(14-6-3-7-15-19)17-8-4-2-5-9-17;2-1-3/h10-13,17H,2-9,14-15H2,1H3;1H,(H,2,3)
InChIKeyRHNLXAIBOGVZJT-UHFFFAOYSA-N
XLogP5.48
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500302.46
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid?
The IUPAC name of 1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid (CID 19365403) is 1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid.
What is the SMILES notation for 1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid?
The canonical SMILES for 1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid is Cc1ccc(C2(C3CCCCC3)CCCCC2)cc1.O=CO.
What is the InChIKey of 1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid?
The InChIKey is RHNLXAIBOGVZJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28.CH2O2/c1-16-10-12-18(13-11-16)19(14-6-3-7-15-19)17-8-4-2-5-9-17;2-1-3/h10-13,17H,2-9,14-15H2,1H3;1H,(H,2,3).
What are the key properties of 1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid?
1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid has a molecular weight of 302.46 g/mol, XLogP of 5.48, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclohexylcyclohexyl)-4-methylbenzene;formic acid is sourced from PubChem (CID 19365403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).