4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane

C23H46 — CID 123925488

IUPAC4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane
SMILESCCCCC1C(C)C(C)C(C)(CCC(C)CC)C(CCC)C1C
InChIInChI=1S/C23H46/c1-9-12-14-21-18(5)20(7)23(8,16-15-17(4)11-3)22(13-10-2)19(21)6/h17-22H,9-16H2,1-8H3
InChIKeyLYDBFRWCJWHQTK-UHFFFAOYSA-N
MW322.62 g/mol
LogP7.96
Rot. Bonds9

About 4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane

4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane (PubChem CID 123925488) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane.

Molecular Properties

Compound Name4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane
PubChem CID123925488
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane
SMILESCCCCC1C(C)C(C)C(C)(CCC(C)CC)C(CCC)C1C
InChIInChI=1S/C23H46/c1-9-12-14-21-18(5)20(7)23(8,16-15-17(4)11-3)22(13-10-2)19(21)6/h17-22H,9-16H2,1-8H3
InChIKeyLYDBFRWCJWHQTK-UHFFFAOYSA-N
XLogP7.96
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 57.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1,2-dimethyl-3-(3-methylpentyl)cyclopropane
CID 91514348
2-(4,7-dimethylnonyl)-1,1,3,4-tetramethylcyclobutane
CID 123435372
1-butyl-2-methyl-3-propan-2-ylcyclopropane
CID 91545202
2-(2,4-dimethylhex-5-en-3-yl)-1,3-dimethyl-1-(3-methylpentyl)cyclopropane
CID 123521762
2-(3,4-dimethylpentyl)-1,3-dimethyl-1-(2-methylbutyl)cyclopropane
CID 123868071
magnesium;3-methyloctane;dibromide
CID 174825221
1,2-dimethyl-3-pentylcyclopropane
CID 524654
3-methylheptane;nickel
CID 158967838
1,2-dimethyl-3-pentylcyclopropane;ethane
CID 143707793
hexane;3-methylnonane
CID 173294071
(3R)-3-methylhexacosane
CID 134824557
(3R)-3-methyloctadecane
CID 98094048

Frequently Asked Questions

What is the IUPAC name of 4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane?
The IUPAC name of 4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane (CID 123925488) is 4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane.
What is the SMILES notation for 4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane?
The canonical SMILES for 4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane is CCCCC1C(C)C(C)C(C)(CCC(C)CC)C(CCC)C1C.
What is the InChIKey of 4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane?
The InChIKey is LYDBFRWCJWHQTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-9-12-14-21-18(5)20(7)23(8,16-15-17(4)11-3)22(13-10-2)19(21)6/h17-22H,9-16H2,1-8H3.
What are the key properties of 4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane?
4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane has a molecular weight of 322.62 g/mol, XLogP of 7.96, 9 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-1,2,3,5-tetramethyl-1-(3-methylpentyl)-6-propylcyclohexane is sourced from PubChem (CID 123925488), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).