1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane

C15H28 — CID 156858767

IUPAC1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane
SMILESC=C(C(C)C)C1CCC(CCCC)CC1
InChIInChI=1S/C15H28/c1-5-6-7-14-8-10-15(11-9-14)13(4)12(2)3/h12,14-15H,4-11H2,1-3H3
InChIKeyBOYKDFLUSAKNKT-UHFFFAOYSA-N
MW208.39 g/mol
LogP5.20
Rot. Bonds5

About 1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane

1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane (PubChem CID 156858767) has the molecular formula C15H28 and a molecular weight of 208.39 g/mol. Its IUPAC name is 1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane.

Molecular Properties

Compound Name1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane
PubChem CID156858767
Molecular FormulaC15H28
Molecular Weight208.39 g/mol
Exact Mass208.22
IUPAC Name1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane
SMILESC=C(C(C)C)C1CCC(CCCC)CC1
InChIInChI=1S/C15H28/c1-5-6-7-14-8-10-15(11-9-14)13(4)12(2)3/h12,14-15H,4-11H2,1-3H3
InChIKeyBOYKDFLUSAKNKT-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500208.39
LogP ≤ 55.20
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

1-butyl-4-[(Z)-3-(4-propylcyclohexyl)but-2-en-2-yl]cyclohexane
CID 173321261
propan-2-yl 4-butylcyclohexane-1-carboxylate
CID 60643355
1-butyl-4-(3-methylbut-1-en-2-yl)piperidine;ethane
CID 170620403
2-[4-(4-butylcyclohexyl)cyclohexyl]prop-2-enoic acid
CID 66615371
2-(4-butylcyclohexyl)ethanol
CID 15085164
1-(3-butylcyclobutyl)-2-methylpropane-1-thione
CID 130464951
1-hexyl-4-(1-methoxyethenyl)cyclohexane
CID 163498140
hexane;pentylcyclopropane
CID 159592467
[4-[2-(4-butylcyclohexyl)ethyl]cyclohexyl]methanol
CID 19899859
N-(1-bromopropan-2-yl)-4-butylcyclohexane-1-carboxamide
CID 114310551
1-(3-methylbut-1-en-2-yl)-4-pentylpiperidine
CID 164552160
N-[(4-butylcyclohexyl)methyl]-2-methylpropan-1-amine
CID 63505259

Frequently Asked Questions

What is the IUPAC name of 1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane?
The IUPAC name of 1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane (CID 156858767) is 1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane.
What is the SMILES notation for 1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane?
The canonical SMILES for 1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane is C=C(C(C)C)C1CCC(CCCC)CC1.
What is the InChIKey of 1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane?
The InChIKey is BOYKDFLUSAKNKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28/c1-5-6-7-14-8-10-15(11-9-14)13(4)12(2)3/h12,14-15H,4-11H2,1-3H3.
What are the key properties of 1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane?
1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane has a molecular weight of 208.39 g/mol, XLogP of 5.20, 5 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-4-(3-methylbut-1-en-2-yl)cyclohexane is sourced from PubChem (CID 156858767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).