7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene

C20H36 — CID 58552634

IUPAC7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene
SMILESCCCC1C(C)CC2CCCC2C1(C)C1CCCCC1
InChIInChI=1S/C20H36/c1-4-9-18-15(2)14-16-10-8-13-19(16)20(18,3)17-11-6-5-7-12-17/h15-19H,4-14H2,1-3H3
InChIKeyBSCLAQCFBMJEDB-UHFFFAOYSA-N
MW276.51 g/mol
LogP6.45
Rot. Bonds3

About 7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene

7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene (PubChem CID 58552634) has the molecular formula C20H36 and a molecular weight of 276.51 g/mol. Its IUPAC name is 7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene.

Molecular Properties

Compound Name7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene
PubChem CID58552634
Molecular FormulaC20H36
Molecular Weight276.51 g/mol
Exact Mass276.28
IUPAC Name7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene
SMILESCCCC1C(C)CC2CCCC2C1(C)C1CCCCC1
InChIInChI=1S/C20H36/c1-4-9-18-15(2)14-16-10-8-13-19(16)20(18,3)17-11-6-5-7-12-17/h15-19H,4-14H2,1-3H3
InChIKeyBSCLAQCFBMJEDB-UHFFFAOYSA-N
XLogP6.45
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500276.51
LogP ≤ 56.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene with MolForge

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Launch Full Analysis

Related Compounds

1-propyl-5-(3,4,5-trimethylcyclohexyl)cyclopentadecane
CID 58552482
ethane;1-ethyl-2-methyl-7-propyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 91264687
5-butyl-4-cyclohexyl-6-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,4-dimethyl-2-propylcyclohexane
CID 157261713
7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
CID 141142279
7-cyclononyl-1-methyl-3-(2-methylcyclohexyl)-2-propylcyclodecane
CID 58552791
1-cyclohexyl-6-propylcyclodecane
CID 58552139
5,6-dimethyl-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 14415240
1-[(1S,3aR,6aR)-2-cyclopentyl-1-pentyl-3,3a,4,5,6,6a-hexahydro-1H-pentalen-2-yl]piperidine
CID 10544512
1-propyl-1,2,3,4,4a,5,6,7,8,8a,9,9a,10,10a-tetradecahydroanthracene
CID 139994332
2-ethyl-1-methyl-4-propylcyclodecane
CID 123259333
(2'R,5S,5'S)-2',5,5'-trimethylspiro[2,3,3a,4,5,6a-hexahydro-1H-pentalene-6,1'-cyclopentane]
CID 162269699
1,1,3-trimethyl-2-propylcyclopentane
CID 154529227

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene?
The IUPAC name of 7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene (CID 58552634) is 7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene.
What is the SMILES notation for 7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene?
The canonical SMILES for 7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene is CCCC1C(C)CC2CCCC2C1(C)C1CCCCC1.
What is the InChIKey of 7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene?
The InChIKey is BSCLAQCFBMJEDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36/c1-4-9-18-15(2)14-16-10-8-13-19(16)20(18,3)17-11-6-5-7-12-17/h15-19H,4-14H2,1-3H3.
What are the key properties of 7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene?
7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene has a molecular weight of 276.51 g/mol, XLogP of 6.45, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene is sourced from PubChem (CID 58552634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).