6-(1-butylcyclohexyl)-2-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene

C25H40 — CID 173427957

IUPAC6-(1-butylcyclohexyl)-2-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCC1(c2ccc3c(c2)CCC(CC(C)CC)C3)CCCCC1
InChIInChI=1S/C25H40/c1-4-6-14-25(15-8-7-9-16-25)24-13-12-22-18-21(17-20(3)5-2)10-11-23(22)19-24/h12-13,19-21H,4-11,14-18H2,1-3H3
InChIKeyTXOMTMKQKFXYTR-UHFFFAOYSA-N
MW340.60 g/mol
LogP7.62
Rot. Bonds7

About 6-(1-butylcyclohexyl)-2-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene

6-(1-butylcyclohexyl)-2-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene (PubChem CID 173427957) has the molecular formula C25H40 and a molecular weight of 340.60 g/mol. Its IUPAC name is 6-(1-butylcyclohexyl)-2-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene.

Molecular Properties

Compound Name6-(1-butylcyclohexyl)-2-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene
PubChem CID173427957
Molecular FormulaC25H40
Molecular Weight340.60 g/mol
Exact Mass340.31
IUPAC Name6-(1-butylcyclohexyl)-2-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene
SMILESCCCCC1(c2ccc3c(c2)CCC(CC(C)CC)C3)CCCCC1
InChIInChI=1S/C25H40/c1-4-6-14-25(15-8-7-9-16-25)24-13-12-22-18-21(17-20(3)5-2)10-11-23(22)19-24/h12-13,19-21H,4-11,14-18H2,1-3H3
InChIKeyTXOMTMKQKFXYTR-UHFFFAOYSA-N
XLogP7.62
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500340.60
LogP ≤ 57.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 6-(1-butylcyclohexyl)-2-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene?
The IUPAC name of 6-(1-butylcyclohexyl)-2-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene (CID 173427957) is 6-(1-butylcyclohexyl)-2-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene.
What is the SMILES notation for 6-(1-butylcyclohexyl)-2-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene?
The canonical SMILES for 6-(1-butylcyclohexyl)-2-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene is CCCCC1(c2ccc3c(c2)CCC(CC(C)CC)C3)CCCCC1.
What is the InChIKey of 6-(1-butylcyclohexyl)-2-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene?
The InChIKey is TXOMTMKQKFXYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H40/c1-4-6-14-25(15-8-7-9-16-25)24-13-12-22-18-21(17-20(3)5-2)10-11-23(22)19-24/h12-13,19-21H,4-11,14-18H2,1-3H3.
What are the key properties of 6-(1-butylcyclohexyl)-2-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene?
6-(1-butylcyclohexyl)-2-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene has a molecular weight of 340.60 g/mol, XLogP of 7.62, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(1-butylcyclohexyl)-2-(2-methylbutyl)-1,2,3,4-tetrahydronaphthalene is sourced from PubChem (CID 173427957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).