1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane

C14H26 — CID 123864296

IUPAC1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CC(C)CCC1C(C)(C)C
InChIInChI=1S/C14H26/c1-10(2)12-9-11(3)7-8-13(12)14(4,5)6/h11-13H,1,7-9H2,2-6H3
InChIKeyIKDOVMJLXKWHGC-UHFFFAOYSA-N
MW194.36 g/mol
LogP4.66
Rot. Bonds1

About 1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane

1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane (PubChem CID 123864296) has the molecular formula C14H26 and a molecular weight of 194.36 g/mol. Its IUPAC name is 1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane
PubChem CID123864296
Molecular FormulaC14H26
Molecular Weight194.36 g/mol
Exact Mass194.20
IUPAC Name1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CC(C)CCC1C(C)(C)C
InChIInChI=1S/C14H26/c1-10(2)12-9-11(3)7-8-13(12)14(4,5)6/h11-13H,1,7-9H2,2-6H3
InChIKeyIKDOVMJLXKWHGC-UHFFFAOYSA-N
XLogP4.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.36
LogP ≤ 54.66
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

cis-(1R,2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(1S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;cis-(2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R,2R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(1R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;(2R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol;trans-(1R,5R)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 161332933
trans-(2R,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 130904144
trans-(1S,5S)-5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 10909792
(1S,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 92529738
(1R,2S,5R)-2-tert-butyl-5-methylcyclohexan-1-ol
CID 68635053
1-tert-butyl-2-fluoro-4-methylcyclohexane
CID 21027517
[(2S,5R)-5-methyl-2-prop-1-en-2-ylcyclohexyl]methanol
CID 146204600
[(1R,2S,5R)-2-tert-butyl-5-methylcyclohexyl] acetate
CID 58788414
4-methyl-2-nitroso-1-prop-1-en-2-ylcyclohexane
CID 118401565
acetic acid;2-tert-butyl-4-methylcyclohexan-1-ol
CID 53446928
1,2,5-trimethyl-3-prop-1-en-2-ylcyclohexane
CID 90909258
hept-2-ene;methanol;5-methyl-2-prop-1-en-2-ylcyclohexan-1-ol
CID 70304538

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane?
The IUPAC name of 1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane (CID 123864296) is 1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane is C=C(C)C1CC(C)CCC1C(C)(C)C.
What is the InChIKey of 1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane?
The InChIKey is IKDOVMJLXKWHGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26/c1-10(2)12-9-11(3)7-8-13(12)14(4,5)6/h11-13H,1,7-9H2,2-6H3.
What are the key properties of 1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane?
1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane has a molecular weight of 194.36 g/mol, XLogP of 4.66, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methyl-2-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 123864296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).