1-butyl-2-methyl-1-propan-2-ylcyclohexane

C14H28 — CID 174787138

IUPAC1-butyl-2-methyl-1-propan-2-ylcyclohexane
SMILESCCCCC1(C(C)C)CCCCC1C
InChIInChI=1S/C14H28/c1-5-6-10-14(12(2)3)11-8-7-9-13(14)4/h12-13H,5-11H2,1-4H3
InChIKeyIBZXATFVQRRCNU-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.03
Rot. Bonds4

About 1-butyl-2-methyl-1-propan-2-ylcyclohexane

1-butyl-2-methyl-1-propan-2-ylcyclohexane (PubChem CID 174787138) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 1-butyl-2-methyl-1-propan-2-ylcyclohexane.

Molecular Properties

Compound Name1-butyl-2-methyl-1-propan-2-ylcyclohexane
PubChem CID174787138
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name1-butyl-2-methyl-1-propan-2-ylcyclohexane
SMILESCCCCC1(C(C)C)CCCCC1C
InChIInChI=1S/C14H28/c1-5-6-10-14(12(2)3)11-8-7-9-13(14)4/h12-13H,5-11H2,1-4H3
InChIKeyIBZXATFVQRRCNU-UHFFFAOYSA-N
XLogP5.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

1-butyl-2-methyl-1-octan-2-ylcyclohexane
CID 163529838
1-butyl-1-(1-butyl-2-methylcyclohexyl)sulfanyl-2-methylcyclohexane
CID 141375893
1-ethyl-1-heptan-4-yl-2-methylcyclodecane
CID 123827321
2-butyl-4,5-dimethyl-2-propan-2-yl-1,3-dioxolane
CID 91236207
1-butyl-1-cycloheptylcycloheptane
CID 140610618
1-(2-butoxyethyl)-2-methylcyclohexan-1-amine
CID 115001863
2-methyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892270
2-methyl-1-(2-methyl-1-propylcyclohexyl)sulfanyl-1-propylcyclohexane
CID 141375882
2-methyl-1-propan-2-ylcyclohexan-1-ol
CID 19833595
2-butyl-4-ethyl-2-propan-2-yl-4a,5,6,7,8,8a-hexahydro-4H-benzo[d][1,3]dioxine
CID 66926207
2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal
CID 174651164
1-(1,2-dimethylcyclohexyl)octadecan-1-amine;hydrate
CID 173347231

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-1-propan-2-ylcyclohexane?
The IUPAC name of 1-butyl-2-methyl-1-propan-2-ylcyclohexane (CID 174787138) is 1-butyl-2-methyl-1-propan-2-ylcyclohexane.
What is the SMILES notation for 1-butyl-2-methyl-1-propan-2-ylcyclohexane?
The canonical SMILES for 1-butyl-2-methyl-1-propan-2-ylcyclohexane is CCCCC1(C(C)C)CCCCC1C.
What is the InChIKey of 1-butyl-2-methyl-1-propan-2-ylcyclohexane?
The InChIKey is IBZXATFVQRRCNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-5-6-10-14(12(2)3)11-8-7-9-13(14)4/h12-13H,5-11H2,1-4H3.
What are the key properties of 1-butyl-2-methyl-1-propan-2-ylcyclohexane?
1-butyl-2-methyl-1-propan-2-ylcyclohexane has a molecular weight of 196.38 g/mol, XLogP of 5.03, 4 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methyl-1-propan-2-ylcyclohexane is sourced from PubChem (CID 174787138), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).