1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane

C23H46 — CID 123523012

IUPAC1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane
SMILESCCC(C)CCC(CC1CC(C)CC1C)C(C)CC(C)C(C)C
InChIInChI=1S/C23H46/c1-9-17(4)10-11-22(21(8)14-19(6)16(2)3)15-23-13-18(5)12-20(23)7/h16-23H,9-15H2,1-8H3
InChIKeyBQAJSKLIOOIKFQ-UHFFFAOYSA-N
MW322.62 g/mol
LogP7.82
Rot. Bonds10

About 1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane

1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane (PubChem CID 123523012) has the molecular formula C23H46 and a molecular weight of 322.62 g/mol. Its IUPAC name is 1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane.

Molecular Properties

Compound Name1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane
PubChem CID123523012
Molecular FormulaC23H46
Molecular Weight322.62 g/mol
Exact Mass322.36
IUPAC Name1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane
SMILESCCC(C)CCC(CC1CC(C)CC1C)C(C)CC(C)C(C)C
InChIInChI=1S/C23H46/c1-9-17(4)10-11-22(21(8)14-19(6)16(2)3)15-23-13-18(5)12-20(23)7/h16-23H,9-15H2,1-8H3
InChIKeyBQAJSKLIOOIKFQ-UHFFFAOYSA-N
XLogP7.82
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500322.62
LogP ≤ 57.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-methyl-2-(2-methylbutyl)cyclopropane
CID 91076617
8-ethyl-2,3,5,9-tetramethyldecane
CID 123544515
1-(4,7-dimethylnonan-2-yl)-3-methylcyclobutane
CID 123489822
ethene;1-methyl-2-(3-methylpentyl)cyclopropane
CID 143221228
1-(2-butyl-3,5-dimethylheptyl)-2-ethylcyclopropane
CID 123453301
1-(6-ethyl-2,5,7-trimethyldecyl)-2-methylcyclopropane
CID 123235703
1-(3,4-diethyl-2,5-dimethylhexyl)-2-methylcyclopropane
CID 123891563
1-(2,4-dimethylheptyl)-2-methylcyclopropane
CID 123484269
1-(3-ethyl-4-methylheptyl)-2-methylcyclopropane
CID 123890529
2,3,5,6,8-pentamethyldecane
CID 123990465
(5R)-2,3,5-trimethylheptane
CID 59882960
1-(2-ethyl-3-methylbutyl)-2,3-dimethylcyclobutane
CID 91456729

Frequently Asked Questions

What is the IUPAC name of 1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane?
The IUPAC name of 1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane (CID 123523012) is 1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane.
What is the SMILES notation for 1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane?
The canonical SMILES for 1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane is CCC(C)CCC(CC1CC(C)CC1C)C(C)CC(C)C(C)C.
What is the InChIKey of 1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane?
The InChIKey is BQAJSKLIOOIKFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H46/c1-9-17(4)10-11-22(21(8)14-19(6)16(2)3)15-23-13-18(5)12-20(23)7/h16-23H,9-15H2,1-8H3.
What are the key properties of 1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane?
1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane has a molecular weight of 322.62 g/mol, XLogP of 7.82, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-dimethyl-2-[3,5,6-trimethyl-2-(3-methylpentyl)heptyl]cyclopentane is sourced from PubChem (CID 123523012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).