2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

C19H34 — CID 22382934

IUPAC2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCC1CCC(C2CCC3CCCCC3C2)CC1
InChIInChI=1S/C19H34/c1-2-5-15-8-10-17(11-9-15)19-13-12-16-6-3-4-7-18(16)14-19/h15-19H,2-14H2,1H3
InChIKeyLEDLKXVVIJIIRM-UHFFFAOYSA-N
MW262.48 g/mol
LogP6.20
Rot. Bonds3

About 2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene

2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (PubChem CID 22382934) has the molecular formula C19H34 and a molecular weight of 262.48 g/mol. Its IUPAC name is 2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.

Molecular Properties

Compound Name2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
PubChem CID22382934
Molecular FormulaC19H34
Molecular Weight262.48 g/mol
Exact Mass262.27
IUPAC Name2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
SMILESCCCC1CCC(C2CCC3CCCCC3C2)CC1
InChIInChI=1S/C19H34/c1-2-5-15-8-10-17(11-9-15)19-13-12-16-6-3-4-7-18(16)14-19/h15-19H,2-14H2,1H3
InChIKeyLEDLKXVVIJIIRM-UHFFFAOYSA-N
XLogP6.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500262.48
LogP ≤ 56.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The IUPAC name of 2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene (CID 22382934) is 2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene.
What is the SMILES notation for 2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The canonical SMILES for 2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is CCCC1CCC(C2CCC3CCCCC3C2)CC1.
What is the InChIKey of 2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
The InChIKey is LEDLKXVVIJIIRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H34/c1-2-5-15-8-10-17(11-9-15)19-13-12-16-6-3-4-7-18(16)14-19/h15-19H,2-14H2,1H3.
What are the key properties of 2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene?
2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene has a molecular weight of 262.48 g/mol, XLogP of 6.20, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-propylcyclohexyl)-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene is sourced from PubChem (CID 22382934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).