1-butan-2-yl-4-tert-butylcyclohexene

C14H26 — CID 11240999

IUPAC1-butan-2-yl-4-tert-butylcyclohexene
SMILESCCC(C)C1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H26/c1-6-11(2)12-7-9-13(10-8-12)14(3,4)5/h7,11,13H,6,8-10H2,1-5H3
InChIKeyXQWDBTQNXBUIAO-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.81
Rot. Bonds2

About 1-butan-2-yl-4-tert-butylcyclohexene

1-butan-2-yl-4-tert-butylcyclohexene (PubChem CID 11240999) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-butan-2-yl-4-tert-butylcyclohexene.

Molecular Properties

Compound Name1-butan-2-yl-4-tert-butylcyclohexene
PubChem CID11240999
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-butan-2-yl-4-tert-butylcyclohexene
SMILESCCC(C)C1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C14H26/c1-6-11(2)12-7-9-13(10-8-12)14(3,4)5/h7,11,13H,6,8-10H2,1-5H3
InChIKeyXQWDBTQNXBUIAO-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.81
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

(+-)-alpha-Pinene
CID 6654
1-Methyl-4-Prop-1-En-2-Ylcyclohexene
CID 22311
(-)-Caryophyllene
CID 5281515
(+)-Limonene
CID 440917
alpha-Pinene, (+)-
CID 82227
Limonene, (-)-
CID 439250
(-)-alpha-Pinene
CID 440968
3-Carene
CID 26049
Beta-Phellandrene
CID 11142
Valencene
CID 9855795
(+)-3-Carene
CID 443156
beta-Cadinene
CID 10657

Frequently Asked Questions

What is the IUPAC name of 1-butan-2-yl-4-tert-butylcyclohexene?
The IUPAC name of 1-butan-2-yl-4-tert-butylcyclohexene (CID 11240999) is 1-butan-2-yl-4-tert-butylcyclohexene.
What is the SMILES notation for 1-butan-2-yl-4-tert-butylcyclohexene?
The canonical SMILES for 1-butan-2-yl-4-tert-butylcyclohexene is CCC(C)C1=CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-butan-2-yl-4-tert-butylcyclohexene?
The InChIKey is XQWDBTQNXBUIAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-6-11(2)12-7-9-13(10-8-12)14(3,4)5/h7,11,13H,6,8-10H2,1-5H3.
What are the key properties of 1-butan-2-yl-4-tert-butylcyclohexene?
1-butan-2-yl-4-tert-butylcyclohexene has a molecular weight of 194.36 g/mol, XLogP of 4.81, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butan-2-yl-4-tert-butylcyclohexene is sourced from PubChem (CID 11240999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).