1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane

C19H38 — CID 143260975

IUPAC1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane
SMILESCCC(C)C1CCCC(C)C1CCCCCC(C)C
InChIInChI=1S/C19H38/c1-6-16(4)18-14-10-12-17(5)19(18)13-9-7-8-11-15(2)3/h15-19H,6-14H2,1-5H3
InChIKeyUGUKZVJDYCENEF-UHFFFAOYSA-N
MW266.51 g/mol
LogP6.69
Rot. Bonds8

About 1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane

1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane (PubChem CID 143260975) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane.

Molecular Properties

Compound Name1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane
PubChem CID143260975
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane
SMILESCCC(C)C1CCCC(C)C1CCCCCC(C)C
InChIInChI=1S/C19H38/c1-6-16(4)18-14-10-12-17(5)19(18)13-9-7-8-11-15(2)3/h15-19H,6-14H2,1-5H3
InChIKeyUGUKZVJDYCENEF-UHFFFAOYSA-N
XLogP6.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 56.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

2-ethyl-1-hexan-2-yl-3-methylcyclohexane
CID 123270961
1-butan-2-yl-2-methylcyclohexane;hexane
CID 143477075
cis-(1R,2R)-1-methyl-2-pentan-2-ylcyclopentane
CID 54158802
2-ethyl-1-methyl-4-(7-methyloctyl)-3-propylcyclohexane
CID 145259223
1-butan-2-yl-2-(4-methylpentan-2-yl)cyclopentane
CID 123699585
13-methyltetradecylcyclopentane
CID 123698808
1-methyl-2-(7-methyloctyl)cyclopropane
CID 123963548
1-methyl-2-(4-methylhexan-2-yl)cyclopentane
CID 123800434
2-butan-2-yl-1,3-dimethylcyclohexane
CID 123219049
N-[1-(3-methyl-2-propylcyclohexyl)ethyl]hexan-1-amine
CID 123669441
1-butan-2-yl-2-pentan-3-ylcyclopentane
CID 123672278
1,3-dimethyl-2-(4-methylpentyl)cyclobutane
CID 123570825

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane?
The IUPAC name of 1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane (CID 143260975) is 1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane.
What is the SMILES notation for 1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane?
The canonical SMILES for 1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane is CCC(C)C1CCCC(C)C1CCCCCC(C)C.
What is the InChIKey of 1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane?
The InChIKey is UGUKZVJDYCENEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-6-16(4)18-14-10-12-17(5)19(18)13-9-7-8-11-15(2)3/h15-19H,6-14H2,1-5H3.
What are the key properties of 1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane?
1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane has a molecular weight of 266.51 g/mol, XLogP of 6.69, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-3-methyl-2-(6-methylheptyl)cyclohexane is sourced from PubChem (CID 143260975), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).