2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane

C35H66 — CID 58731385

IUPAC2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane
SMILESCCCCCCC1CCC(C2C(C)CC(CCC3CC(C(C)C)C(C)C(C(C)C)C3)CC2C)CC1
InChIInChI=1S/C35H66/c1-9-10-11-12-13-29-16-18-32(19-17-29)35-26(6)20-30(21-27(35)7)14-15-31-22-33(24(2)3)28(8)34(23-31)25(4)5/h24-35H,9-23H2,1-8H3
InChIKeyLRYXQTDKOAIEMH-UHFFFAOYSA-N
MW486.91 g/mol
LogP11.43
Rot. Bonds11

About 2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane

2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane (PubChem CID 58731385) has the molecular formula C35H66 and a molecular weight of 486.91 g/mol. Its IUPAC name is 2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane.

Molecular Properties

Compound Name2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane
PubChem CID58731385
Molecular FormulaC35H66
Molecular Weight486.91 g/mol
Exact Mass486.52
IUPAC Name2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane
SMILESCCCCCCC1CCC(C2C(C)CC(CCC3CC(C(C)C)C(C)C(C(C)C)C3)CC2C)CC1
InChIInChI=1S/C35H66/c1-9-10-11-12-13-29-16-18-32(19-17-29)35-26(6)20-30(21-27(35)7)14-15-31-22-33(24(2)3)28(8)34(23-31)25(4)5/h24-35H,9-23H2,1-8H3
InChIKeyLRYXQTDKOAIEMH-UHFFFAOYSA-N
XLogP11.43
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500486.91
LogP ≤ 511.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane with MolForge

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Related Compounds

1-nonyl-4-(4-nonylcyclohexyl)cyclohexane
CID 19850464
1-(4-octylcyclohexyl)-4-(4-pentylcyclohexyl)cyclohexane
CID 54222388
1-octyl-4-(4-octylcyclohexyl)cyclohexane
CID 19850385
1-methyl-4-[4-(4-nonylcyclohexyl)cyclohexyl]cyclohexane
CID 54248901
1-hexyl-4-(4-methylcyclohexyl)cyclohexane
CID 19850428
1-butyl-4-[4-(4-decylcyclohexyl)cyclohexyl]cyclohexane
CID 54137563
tetradecane;undecylcyclopropane
CID 173215670
1,4-dihexylcyclohexane
CID 22947938
octadecane;pentadecylcyclopropane
CID 173301851
1-dodecyl-4-pentadecylcyclohexane
CID 123560684
1-hexyl-4-(4-propylcyclohexyl)cyclohexane
CID 19850461
(2R,4aR)-2-hexyl-6-pentyl-1,2,3,4,4a,5,6,7,8,8a-decahydronaphthalene
CID 54489022

Frequently Asked Questions

What is the IUPAC name of 2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane?
The IUPAC name of 2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane (CID 58731385) is 2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane.
What is the SMILES notation for 2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane?
The canonical SMILES for 2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane is CCCCCCC1CCC(C2C(C)CC(CCC3CC(C(C)C)C(C)C(C(C)C)C3)CC2C)CC1.
What is the InChIKey of 2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane?
The InChIKey is LRYXQTDKOAIEMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H66/c1-9-10-11-12-13-29-16-18-32(19-17-29)35-26(6)20-30(21-27(35)7)14-15-31-22-33(24(2)3)28(8)34(23-31)25(4)5/h24-35H,9-23H2,1-8H3.
What are the key properties of 2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane?
2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane has a molecular weight of 486.91 g/mol, XLogP of 11.43, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-hexylcyclohexyl)-1,3-dimethyl-5-[2-[4-methyl-3,5-di(propan-2-yl)cyclohexyl]ethyl]cyclohexane is sourced from PubChem (CID 58731385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).