6-butyl-1,3,3-trimethylcyclohexene

C13H24 — CID 176917622

IUPAC6-butyl-1,3,3-trimethylcyclohexene
SMILESCCCCC1CCC(C)(C)C=C1C
InChIInChI=1S/C13H24/c1-5-6-7-12-8-9-13(3,4)10-11(12)2/h10,12H,5-9H2,1-4H3
InChIKeyYZAZEKNLMOIZLW-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.56
Rot. Bonds3

About 6-butyl-1,3,3-trimethylcyclohexene

6-butyl-1,3,3-trimethylcyclohexene (PubChem CID 176917622) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 6-butyl-1,3,3-trimethylcyclohexene.

Molecular Properties

Compound Name6-butyl-1,3,3-trimethylcyclohexene
PubChem CID176917622
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name6-butyl-1,3,3-trimethylcyclohexene
SMILESCCCCC1CCC(C)(C)C=C1C
InChIInChI=1S/C13H24/c1-5-6-7-12-8-9-13(3,4)10-11(12)2/h10,12H,5-9H2,1-4H3
InChIKeyYZAZEKNLMOIZLW-UHFFFAOYSA-N
XLogP4.56
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.56
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

(2,4,4-trimethylcyclohex-2-en-1-yl)methyl butanoate
CID 91664368
tributyl-[[(1R)-2,4,4-trimethylcyclohex-2-en-1-yl]oxymethyl]stannane
CID 11729936
6-butyl-1,5,5-trimethylcyclohexene
CID 15402298
1,3,3-trimethyl-6-nitrosocyclohexene
CID 56626859
1-chloro-4-(2,4,4-trimethylcyclohex-2-en-1-yl)benzene
CID 140982980
(5R)-5-butyl-2,2,4-trimethyl-5,6-dihydrochromene
CID 57259715
8-butyl-3-methylbicyclo[4.2.0]octa-1(6),2,4-trien-2-ol
CID 139973394
2-(2,4,4-trimethylcyclohex-2-en-1-yl)but-3-yn-2-ol
CID 23350222
2-butyl-4-methyl-1,3-dioxole
CID 13058516
azane;2-butyl-1,1-dimethylcyclopentane
CID 174501444
cis-(1R,2R)-2-butylcyclopropan-1-ol
CID 14453673
1-(4-butyl-1-methylcyclohexyl)-4-fluorobenzene
CID 163864644

Frequently Asked Questions

What is the IUPAC name of 6-butyl-1,3,3-trimethylcyclohexene?
The IUPAC name of 6-butyl-1,3,3-trimethylcyclohexene (CID 176917622) is 6-butyl-1,3,3-trimethylcyclohexene.
What is the SMILES notation for 6-butyl-1,3,3-trimethylcyclohexene?
The canonical SMILES for 6-butyl-1,3,3-trimethylcyclohexene is CCCCC1CCC(C)(C)C=C1C.
What is the InChIKey of 6-butyl-1,3,3-trimethylcyclohexene?
The InChIKey is YZAZEKNLMOIZLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-5-6-7-12-8-9-13(3,4)10-11(12)2/h10,12H,5-9H2,1-4H3.
What are the key properties of 6-butyl-1,3,3-trimethylcyclohexene?
6-butyl-1,3,3-trimethylcyclohexene has a molecular weight of 180.33 g/mol, XLogP of 4.56, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 6-butyl-1,3,3-trimethylcyclohexene is sourced from PubChem (CID 176917622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).