6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene

C28H46 — CID 57297875

IUPAC6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCCCC1(c2ccc3c(c2)CCC(CCCCC)C3)CCCCC1
InChIInChI=1S/C28H46/c1-3-5-7-8-11-19-28(20-12-9-13-21-28)27-18-17-25-22-24(14-10-6-4-2)15-16-26(25)23-27/h17-18,23-24H,3-16,19-22H2,1-2H3
InChIKeyAYWBGDZMCSENSV-UHFFFAOYSA-N
MW382.68 g/mol
LogP8.93
Rot. Bonds11

About 6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene

6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene (PubChem CID 57297875) has the molecular formula C28H46 and a molecular weight of 382.68 g/mol. Its IUPAC name is 6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
PubChem CID57297875
Molecular FormulaC28H46
Molecular Weight382.68 g/mol
Exact Mass382.36
IUPAC Name6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene
SMILESCCCCCCCC1(c2ccc3c(c2)CCC(CCCCC)C3)CCCCC1
InChIInChI=1S/C28H46/c1-3-5-7-8-11-19-28(20-12-9-13-21-28)27-18-17-25-22-24(14-10-6-4-2)15-16-26(25)23-27/h17-18,23-24H,3-16,19-22H2,1-2H3
InChIKeyAYWBGDZMCSENSV-UHFFFAOYSA-N
XLogP8.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.68
LogP ≤ 58.93
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 6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene (CID 57297875) is 6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene is CCCCCCCC1(c2ccc3c(c2)CCC(CCCCC)C3)CCCCC1.
What is the InChIKey of 6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene?
The InChIKey is AYWBGDZMCSENSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H46/c1-3-5-7-8-11-19-28(20-12-9-13-21-28)27-18-17-25-22-24(14-10-6-4-2)15-16-26(25)23-27/h17-18,23-24H,3-16,19-22H2,1-2H3.
What are the key properties of 6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene?
6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene has a molecular weight of 382.68 g/mol, XLogP of 8.93, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-heptylcyclohexyl)-2-pentyl-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 57297875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).