7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene

C35H58 — CID 141142279

IUPAC7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESC1CCCC(C2(C3CCCC3)C3CCCCC3CC(C3CC3)C2(C2CCCCC2)C2CCC2)CC1
InChIInChI=1S/C35H58/c1-2-5-15-28(14-4-1)34(29-18-9-10-19-29)32-22-11-8-13-27(32)25-33(26-23-24-26)35(34,31-20-12-21-31)30-16-6-3-7-17-30/h26-33H,1-25H2
InChIKeyHGPJOSJBCWLGDI-UHFFFAOYSA-N
MW478.85 g/mol
LogP10.74
Rot. Bonds5

About 7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene

7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene (PubChem CID 141142279) has the molecular formula C35H58 and a molecular weight of 478.85 g/mol. Its IUPAC name is 7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene.

Molecular Properties

Compound Name7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
PubChem CID141142279
Molecular FormulaC35H58
Molecular Weight478.85 g/mol
Exact Mass478.45
IUPAC Name7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene
SMILESC1CCCC(C2(C3CCCC3)C3CCCCC3CC(C3CC3)C2(C2CCCCC2)C2CCC2)CC1
InChIInChI=1S/C35H58/c1-2-5-15-28(14-4-1)34(29-18-9-10-19-29)32-22-11-8-13-27(32)25-33(26-23-24-26)35(34,31-20-12-21-31)30-16-6-3-7-17-30/h26-33H,1-25H2
InChIKeyHGPJOSJBCWLGDI-UHFFFAOYSA-N
XLogP10.74
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.85
LogP ≤ 510.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Analyze 7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene with MolForge

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Launch Full Analysis

Related Compounds

tricyclo[11.9.0.05,8]docosane
CID 123241919
pentacyclo[23.18.0.05,21.08,16.029,41]tritetracontane
CID 123459742
hexacyclo[23.22.0.05,20.08,15.028,44.032,40]heptatetracontane
CID 123895586
1,2-dicyclohexyl-1-methylcyclohexane
CID 173420914
1-cyclohexyl-4-[4-[4-[4-[4-(4-cyclohexylcyclohexyl)cyclohexyl]cyclohexyl]cyclohexyl]cyclohexyl]cyclohexane
CID 123286414
(3aR,12aR)-1,2,3,3a,4,5,6,7,8,9,10,11,12,12a-tetradecahydrocyclopenta[11]annulene
CID 14112261
1,2,3,3a,4,5,6,7,8,9,10,10a-dodecahydrocyclopenta[9]annulene
CID 58552309
1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene;2,3,3a,4,5,6,7,7a-octahydro-1H-indene;1,2,3,3a,4,5,6,6a-octahydropentalene;cyclobutane;cycloheptane;cyclohexane;cyclooctane;cyclopentane;cyclopropane
CID 158726060
pentacyclo[11.9.0.03,11.05,9.015,21]docosane
CID 132819456
7-cyclohexyl-5,7-dimethyl-6-propyl-1,2,3,3a,4,5,6,7a-octahydroindene
CID 58552634
tetracyclo[6.5.2.04,15.011,14]pentadecane
CID 91584207
bicyclo[11.1.0]tetradecane
CID 90981498

Frequently Asked Questions

What is the IUPAC name of 7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The IUPAC name of 7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene (CID 141142279) is 7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene.
What is the SMILES notation for 7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The canonical SMILES for 7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene is C1CCCC(C2(C3CCCC3)C3CCCCC3CC(C3CC3)C2(C2CCCCC2)C2CCC2)CC1.
What is the InChIKey of 7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
The InChIKey is HGPJOSJBCWLGDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H58/c1-2-5-15-28(14-4-1)34(29-18-9-10-19-29)32-22-11-8-13-27(32)25-33(26-23-24-26)35(34,31-20-12-21-31)30-16-6-3-7-17-30/h26-33H,1-25H2.
What are the key properties of 7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene?
7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene has a molecular weight of 478.85 g/mol, XLogP of 10.74, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclobutyl-8-cycloheptyl-7-cyclohexyl-8-cyclopentyl-6-cyclopropyl-1,2,3,4,4a,5,6,8a-octahydronaphthalene is sourced from PubChem (CID 141142279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).