1-butyl-2-methyl-1-octan-2-ylcyclohexane

C19H38 — CID 163529838

IUPAC1-butyl-2-methyl-1-octan-2-ylcyclohexane
SMILESCCCCCCC(C)C1(CCCC)CCCCC1C
InChIInChI=1S/C19H38/c1-5-7-9-10-13-17(3)19(15-8-6-2)16-12-11-14-18(19)4/h17-18H,5-16H2,1-4H3
InChIKeyDRZJWDHHLLWIEN-UHFFFAOYSA-N
MW266.51 g/mol
LogP6.98
Rot. Bonds9

About 1-butyl-2-methyl-1-octan-2-ylcyclohexane

1-butyl-2-methyl-1-octan-2-ylcyclohexane (PubChem CID 163529838) has the molecular formula C19H38 and a molecular weight of 266.51 g/mol. Its IUPAC name is 1-butyl-2-methyl-1-octan-2-ylcyclohexane.

Molecular Properties

Compound Name1-butyl-2-methyl-1-octan-2-ylcyclohexane
PubChem CID163529838
Molecular FormulaC19H38
Molecular Weight266.51 g/mol
Exact Mass266.30
IUPAC Name1-butyl-2-methyl-1-octan-2-ylcyclohexane
SMILESCCCCCCC(C)C1(CCCC)CCCCC1C
InChIInChI=1S/C19H38/c1-5-7-9-10-13-17(3)19(15-8-6-2)16-12-11-14-18(19)4/h17-18H,5-16H2,1-4H3
InChIKeyDRZJWDHHLLWIEN-UHFFFAOYSA-N
XLogP6.98
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.51
LogP ≤ 56.98
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

1-butyl-2-methyl-1-propan-2-ylcyclohexane
CID 174787138
1-(1,2-dimethylcyclohexyl)octadecan-1-amine;hydrate
CID 173347231
1-ethyl-1-heptan-4-yl-2-methylcyclodecane
CID 123827321
1-(1,2-dipropylcyclohexyl)hexadecan-1-amine
CID 19862394
1-butyl-1-(1-butyl-2-methylcyclohexyl)sulfanyl-2-methylcyclohexane
CID 141375893
1-(1,2-dipropylcyclohexyl)octan-1-amine;hydrochloride
CID 173360909
2-methyl-1-pentan-2-ylcyclohexan-1-amine
CID 107892270
N,1,2-trimethyl-N-[(3S)-4-methylnonan-3-yl]cyclooctan-1-amine
CID 135227484
1-(1,2-diethylcyclohexyl)dodecan-1-amine;hydrate
CID 173347592
2-[1-(methoxymethyl)-2-methylcyclohexyl]pentanal
CID 174651164
3-nonan-2-yl-7-propan-2-yldiazepan-3-amine
CID 134220025
9-octan-2-yl-8-propan-2-yl-6,9-diazaspiro[4.5]decane
CID 64947217

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methyl-1-octan-2-ylcyclohexane?
The IUPAC name of 1-butyl-2-methyl-1-octan-2-ylcyclohexane (CID 163529838) is 1-butyl-2-methyl-1-octan-2-ylcyclohexane.
What is the SMILES notation for 1-butyl-2-methyl-1-octan-2-ylcyclohexane?
The canonical SMILES for 1-butyl-2-methyl-1-octan-2-ylcyclohexane is CCCCCCC(C)C1(CCCC)CCCCC1C.
What is the InChIKey of 1-butyl-2-methyl-1-octan-2-ylcyclohexane?
The InChIKey is DRZJWDHHLLWIEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H38/c1-5-7-9-10-13-17(3)19(15-8-6-2)16-12-11-14-18(19)4/h17-18H,5-16H2,1-4H3.
What are the key properties of 1-butyl-2-methyl-1-octan-2-ylcyclohexane?
1-butyl-2-methyl-1-octan-2-ylcyclohexane has a molecular weight of 266.51 g/mol, XLogP of 6.98, 9 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-octan-2-ylcyclohexane is sourced from PubChem (CID 163529838), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).