6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene

C23H38 — CID 143261061

IUPAC6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
SMILESCCCC1C(C2CC2)CCC2C(C)C(C3CCCCC3)=CCC21
InChIInChI=1S/C23H38/c1-3-7-22-21(18-10-11-18)14-13-20-16(2)19(12-15-23(20)22)17-8-5-4-6-9-17/h12,16-18,20-23H,3-11,13-15H2,1-2H3
InChIKeyNEYBLVLBUFVETO-UHFFFAOYSA-N
MW314.56 g/mol
LogP7.00
Rot. Bonds4

About 6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene

6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene (PubChem CID 143261061) has the molecular formula C23H38 and a molecular weight of 314.56 g/mol. Its IUPAC name is 6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene.

Molecular Properties

Compound Name6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
PubChem CID143261061
Molecular FormulaC23H38
Molecular Weight314.56 g/mol
Exact Mass314.30
IUPAC Name6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene
SMILESCCCC1C(C2CC2)CCC2C(C)C(C3CCCCC3)=CCC21
InChIInChI=1S/C23H38/c1-3-7-22-21(18-10-11-18)14-13-20-16(2)19(12-15-23(20)22)17-8-5-4-6-9-17/h12,16-18,20-23H,3-11,13-15H2,1-2H3
InChIKeyNEYBLVLBUFVETO-UHFFFAOYSA-N
XLogP7.00
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.56
LogP ≤ 57.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene with MolForge

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Related Compounds

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1,3-dimethyl-2-propylcycloheptane
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7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane
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CID 163700219
(1R,4S)-2-methyl-3-propylbicyclo[2.2.1]heptane
CID 58729228
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CID 58552321
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CID 145240141
(1R,2R,5S,6S)-2-methyl-6-propylbicyclo[3.1.0]hexane
CID 58708477
1-(4-cyclohexylcyclohexyl)-2,3-dimethyl-4-(4-methylcyclohexyl)cyclohexane
CID 143294229
3-butyl-4-cyclohexylpyrrolidin-2-one
CID 174456342
acetylene;1-butyl-2-(2-methylcyclopentyl)-1,2,3,4,4a,4b,5,6,7,8,8a,9,10,10a-tetradecahydrophenanthrene;methanamine;prop-1-yne
CID 144586969

Frequently Asked Questions

What is the IUPAC name of 6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The IUPAC name of 6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene (CID 143261061) is 6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene.
What is the SMILES notation for 6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The canonical SMILES for 6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene is CCCC1C(C2CC2)CCC2C(C)C(C3CCCCC3)=CCC21.
What is the InChIKey of 6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
The InChIKey is NEYBLVLBUFVETO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38/c1-3-7-22-21(18-10-11-18)14-13-20-16(2)19(12-15-23(20)22)17-8-5-4-6-9-17/h12,16-18,20-23H,3-11,13-15H2,1-2H3.
What are the key properties of 6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene?
6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene has a molecular weight of 314.56 g/mol, XLogP of 7.00, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-cyclohexyl-2-cyclopropyl-5-methyl-1-propyl-1,2,3,4,4a,5,8,8a-octahydronaphthalene is sourced from PubChem (CID 143261061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).