4-tert-butyl-1-methylcyclohexene;ethane

C13H26 — CID 143859971

IUPAC4-tert-butyl-1-methylcyclohexene;ethane
SMILESCC.CC1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H20.C2H6/c1-9-5-7-10(8-6-9)11(2,3)4;1-2/h5,10H,6-8H2,1-4H3;1-2H3
InChIKeyCJHJLGWORHFSJY-UHFFFAOYSA-N
MW182.35 g/mol
LogP4.81
Rot. Bonds

About 4-tert-butyl-1-methylcyclohexene;ethane

4-tert-butyl-1-methylcyclohexene;ethane (PubChem CID 143859971) has the molecular formula C13H26 and a molecular weight of 182.35 g/mol. Its IUPAC name is 4-tert-butyl-1-methylcyclohexene;ethane.

Molecular Properties

Compound Name4-tert-butyl-1-methylcyclohexene;ethane
PubChem CID143859971
Molecular FormulaC13H26
Molecular Weight182.35 g/mol
Exact Mass182.20
IUPAC Name4-tert-butyl-1-methylcyclohexene;ethane
SMILESCC.CC1=CCC(C(C)(C)C)CC1
InChIInChI=1S/C11H20.C2H6/c1-9-5-7-10(8-6-9)11(2,3)4;1-2/h5,10H,6-8H2,1-4H3;1-2H3
InChIKeyCJHJLGWORHFSJY-UHFFFAOYSA-N
XLogP4.81
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.35
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

ethane;2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 145316988
2-(4-methylcyclohex-3-en-1-yl)propan-2-ol
CID 23186359
2-[(3E,7Z)-4,8-dimethylcyclodeca-3,7-dien-1-yl]propan-2-ol
CID 101418223
2-[(1R,3E,7E,11E)-4,8,12-trimethylcyclotetradeca-3,7,11-trien-1-yl]propan-2-ol
CID 6443020
1-bromo-4-tert-butylcyclohexene
CID 11469993
CID 59694830
CID 59694830
2-(4-methylcyclohex-3-en-1-yl)propan-2-yl formate
CID 16537
S-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yl] ethanethioate
CID 142090009
CID 171375076
CID 171375076
(4-tert-butylcyclohexen-1-yl)-trimethylsilane
CID 11052929
2-[2-(4-methylcyclohex-3-en-1-yl)propan-2-yloxy]ethanol
CID 3016990
4-tert-butyl-1-ethynylcyclohexene
CID 15783605

Frequently Asked Questions

What is the IUPAC name of 4-tert-butyl-1-methylcyclohexene;ethane?
The IUPAC name of 4-tert-butyl-1-methylcyclohexene;ethane (CID 143859971) is 4-tert-butyl-1-methylcyclohexene;ethane.
What is the SMILES notation for 4-tert-butyl-1-methylcyclohexene;ethane?
The canonical SMILES for 4-tert-butyl-1-methylcyclohexene;ethane is CC.CC1=CCC(C(C)(C)C)CC1.
What is the InChIKey of 4-tert-butyl-1-methylcyclohexene;ethane?
The InChIKey is CJHJLGWORHFSJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20.C2H6/c1-9-5-7-10(8-6-9)11(2,3)4;1-2/h5,10H,6-8H2,1-4H3;1-2H3.
What are the key properties of 4-tert-butyl-1-methylcyclohexene;ethane?
4-tert-butyl-1-methylcyclohexene;ethane has a molecular weight of 182.35 g/mol, XLogP of 4.81, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4-tert-butyl-1-methylcyclohexene;ethane is sourced from PubChem (CID 143859971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).