1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane

C34H64 — CID 161402901

IUPAC1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane
SMILESCC1CCCC(C2CCC(CCCCC3CCCC(C(C)(C)C)C3)C2C)C1.CC1CCCCC1
InChIInChI=1S/C27H50.C7H14/c1-20-10-8-14-24(18-20)26-17-16-23(21(26)2)13-7-6-11-22-12-9-15-25(19-22)27(3,4)5;1-7-5-3-2-4-6-7/h20-26H,6-19H2,1-5H3;7H,2-6H2,1H3
InChIKeyVULTURZZEVLHDZ-UHFFFAOYSA-N
MW472.89 g/mol
LogP11.47
Rot. Bonds6

About 1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane

1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane (PubChem CID 161402901) has the molecular formula C34H64 and a molecular weight of 472.89 g/mol. Its IUPAC name is 1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane.

Molecular Properties

Compound Name1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane
PubChem CID161402901
Molecular FormulaC34H64
Molecular Weight472.89 g/mol
Exact Mass472.50
IUPAC Name1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane
SMILESCC1CCCC(C2CCC(CCCCC3CCCC(C(C)(C)C)C3)C2C)C1.CC1CCCCC1
InChIInChI=1S/C27H50.C7H14/c1-20-10-8-14-24(18-20)26-17-16-23(21(26)2)13-7-6-11-22-12-9-15-25(19-22)27(3,4)5;1-7-5-3-2-4-6-7/h20-26H,6-19H2,1-5H3;7H,2-6H2,1H3
InChIKeyVULTURZZEVLHDZ-UHFFFAOYSA-N
XLogP11.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500472.89
LogP ≤ 511.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze 1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane with MolForge

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Related Compounds

4-[2-methyl-3-[2-methyl-4-(3-methylcyclopentyl)cyclopentyl]cyclopentyl]butylcyclohexane
CID 58552610
[4-tert-butyl-2-(3-methylcyclohexyl)cyclohexyl]methanamine
CID 81011858
5-[3-(4-cyclohexylbutyl)-2-methylcyclopentyl]-2,4,5,6,7,7a-hexahydro-1H-indene
CID 58552743
1-tert-butyl-3-methylcyclohexane;propane
CID 177337386
1-hexyl-3,9-dimethylcyclononadecane
CID 59972329
1-tert-butyl-4-[2-[3-[4-(3,3-dimethylbutyl)cyclohexyl]-2-methylcyclopentyl]ethyl]cyclohexane
CID 58552442
2-methyl-4-[5-(2-methyl-2,3,3a,4,5,6,7,7a-octahydro-1H-inden-4-yl)pentyl]-2,3,3a,4,5,6,7,7a-octahydro-1H-indene
CID 166038561
(2-cyclohexyl-3-pentylcyclopentyl)cyclohexane;methylcyclodecane
CID 158900562
1,3-dicyclohexyl-2,7-dimethylcyclodecane
CID 20676902
1-methyl-3-octadecylcyclohexane
CID 175465709
1-methyl-3-octylcyclohexane
CID 54298070
1-(3-bromo-2-methylcyclopentyl)-3-methylcyclohexane
CID 64907304

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane?
The IUPAC name of 1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane (CID 161402901) is 1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane.
What is the SMILES notation for 1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane?
The canonical SMILES for 1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane is CC1CCCC(C2CCC(CCCCC3CCCC(C(C)(C)C)C3)C2C)C1.CC1CCCCC1.
What is the InChIKey of 1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane?
The InChIKey is VULTURZZEVLHDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H50.C7H14/c1-20-10-8-14-24(18-20)26-17-16-23(21(26)2)13-7-6-11-22-12-9-15-25(19-22)27(3,4)5;1-7-5-3-2-4-6-7/h20-26H,6-19H2,1-5H3;7H,2-6H2,1H3.
What are the key properties of 1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane?
1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane has a molecular weight of 472.89 g/mol, XLogP of 11.47, 6 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[4-[2-methyl-3-(3-methylcyclohexyl)cyclopentyl]butyl]cyclohexane;methylcyclohexane is sourced from PubChem (CID 161402901), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).