2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

C22H34 — CID 57187592

IUPAC2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCC1(c2ccc3c(c2)CCC(C)C3)CCCCC1
InChIInChI=1S/C22H34/c1-3-4-6-13-22(14-7-5-8-15-22)21-12-11-19-16-18(2)9-10-20(19)17-21/h11-12,17-18H,3-10,13-16H2,1-2H3
InChIKeyBNCASQPKROMXIT-UHFFFAOYSA-N
MW298.51 g/mol
LogP6.59
Rot. Bonds5

About 2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene

2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 57187592) has the molecular formula C22H34 and a molecular weight of 298.51 g/mol. Its IUPAC name is 2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID57187592
Molecular FormulaC22H34
Molecular Weight298.51 g/mol
Exact Mass298.27
IUPAC Name2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCC1(c2ccc3c(c2)CCC(C)C3)CCCCC1
InChIInChI=1S/C22H34/c1-3-4-6-13-22(14-7-5-8-15-22)21-12-11-19-16-18(2)9-10-20(19)17-21/h11-12,17-18H,3-10,13-16H2,1-2H3
InChIKeyBNCASQPKROMXIT-UHFFFAOYSA-N
XLogP6.59
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500298.51
LogP ≤ 56.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene (CID 57187592) is 2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is CCCCCC1(c2ccc3c(c2)CCC(C)C3)CCCCC1.
What is the InChIKey of 2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is BNCASQPKROMXIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H34/c1-3-4-6-13-22(14-7-5-8-15-22)21-12-11-19-16-18(2)9-10-20(19)17-21/h11-12,17-18H,3-10,13-16H2,1-2H3.
What are the key properties of 2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene?
2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 298.51 g/mol, XLogP of 6.59, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(1-pentylcyclohexyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 57187592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).