1-butyl-2-methylcyclohexene;ethane

C15H32 — CID 145390002

IUPAC1-butyl-2-methylcyclohexene;ethane
SMILESCC.CC.CCCCC1=C(C)CCCC1
InChIInChI=1S/C11H20.2C2H6/c1-3-4-8-11-9-6-5-7-10(11)2;2*1-2/h3-9H2,1-2H3;2*1-2H3
InChIKeyWZFPOXKZQKJJCM-UHFFFAOYSA-N
MW212.42 g/mol
LogP6.12
Rot. Bonds3

About 1-butyl-2-methylcyclohexene;ethane

1-butyl-2-methylcyclohexene;ethane (PubChem CID 145390002) has the molecular formula C15H32 and a molecular weight of 212.42 g/mol. Its IUPAC name is 1-butyl-2-methylcyclohexene;ethane.

Molecular Properties

Compound Name1-butyl-2-methylcyclohexene;ethane
PubChem CID145390002
Molecular FormulaC15H32
Molecular Weight212.42 g/mol
Exact Mass212.25
IUPAC Name1-butyl-2-methylcyclohexene;ethane
SMILESCC.CC.CCCCC1=C(C)CCCC1
InChIInChI=1S/C11H20.2C2H6/c1-3-4-8-11-9-6-5-7-10(11)2;2*1-2/h3-9H2,1-2H3;2*1-2H3
InChIKeyWZFPOXKZQKJJCM-UHFFFAOYSA-N
XLogP6.12
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500212.42
LogP ≤ 56.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(1Z)-1,2-dipentylcyclononene
CID 134981785
1,2-dihexylcyclohexene
CID 19795043
1-butyl-2-ethylcyclopentene
CID 154086983
1-pentyl-2-(2-pentylcyclohexen-1-yl)oxycyclohexene
CID 21413591
[(1E)-2-pentylcyclotetradecen-1-yl]methanol
CID 13438654
4-butyl-5-methyl-2,3-dihydroselenophene
CID 173132021
1,4-dimethyl-2-pentylcyclohexene
CID 175171026
1,2,3,4,5,6-hexabutylbenzene
CID 12586860
1-butyl-2-hexylcyclopropene
CID 134897823
1,2,3,4-tetrabutylcyclopenta-1,3-diene
CID 14094225
1-methyl-2-octoxycyclohexene
CID 70525122
4-O-[(2-methylcyclohexen-1-yl)methyl] 1-O-octyl (E)-but-2-enedioate
CID 91704234

Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-methylcyclohexene;ethane?
The IUPAC name of 1-butyl-2-methylcyclohexene;ethane (CID 145390002) is 1-butyl-2-methylcyclohexene;ethane.
What is the SMILES notation for 1-butyl-2-methylcyclohexene;ethane?
The canonical SMILES for 1-butyl-2-methylcyclohexene;ethane is CC.CC.CCCCC1=C(C)CCCC1.
What is the InChIKey of 1-butyl-2-methylcyclohexene;ethane?
The InChIKey is WZFPOXKZQKJJCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.2C2H6/c1-3-4-8-11-9-6-5-7-10(11)2;2*1-2/h3-9H2,1-2H3;2*1-2H3.
What are the key properties of 1-butyl-2-methylcyclohexene;ethane?
1-butyl-2-methylcyclohexene;ethane has a molecular weight of 212.42 g/mol, XLogP of 6.12, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-methylcyclohexene;ethane is sourced from PubChem (CID 145390002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).