1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene

C27H44 — CID 143048416

IUPAC1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(/C(C)=C/C(C)(C)C)cc1.CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H22.C11H22/c1-12(2)14-7-9-15(10-8-14)13(3)11-16(4,5)6;1-9-5-7-10(8-6-9)11(2,3)4/h7-11H,1H2,2-6H3;9-10H,5-8H2,1-4H3/b13-11+;
InChIKeyFVQIXEHCZJVYFJ-BNSHTTSQSA-N
MW368.65 g/mol
LogP9.03
Rot. Bonds2

About 1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene

1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene (PubChem CID 143048416) has the molecular formula C27H44 and a molecular weight of 368.65 g/mol. Its IUPAC name is 1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene.

Molecular Properties

Compound Name1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene
PubChem CID143048416
Molecular FormulaC27H44
Molecular Weight368.65 g/mol
Exact Mass368.34
IUPAC Name1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene
SMILESC=C(C)c1ccc(/C(C)=C/C(C)(C)C)cc1.CC1CCC(C(C)(C)C)CC1
InChIInChI=1S/C16H22.C11H22/c1-12(2)14-7-9-15(10-8-14)13(3)11-16(4,5)6;1-9-5-7-10(8-6-9)11(2,3)4/h7-11H,1H2,2-6H3;9-10H,5-8H2,1-4H3/b13-11+;
InChIKeyFVQIXEHCZJVYFJ-BNSHTTSQSA-N
XLogP9.03
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.65
LogP ≤ 59.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene?
The IUPAC name of 1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene (CID 143048416) is 1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene.
What is the SMILES notation for 1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene?
The canonical SMILES for 1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene is C=C(C)c1ccc(/C(C)=C/C(C)(C)C)cc1.CC1CCC(C(C)(C)C)CC1.
What is the InChIKey of 1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene?
The InChIKey is FVQIXEHCZJVYFJ-BNSHTTSQSA-N. The full InChI is InChI=1S/C16H22.C11H22/c1-12(2)14-7-9-15(10-8-14)13(3)11-16(4,5)6;1-9-5-7-10(8-6-9)11(2,3)4/h7-11H,1H2,2-6H3;9-10H,5-8H2,1-4H3/b13-11+;.
What are the key properties of 1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene?
1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene has a molecular weight of 368.65 g/mol, XLogP of 9.03, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-4-methylcyclohexane;1-[(E)-4,4-dimethylpent-2-en-2-yl]-4-prop-1-en-2-ylbenzene is sourced from PubChem (CID 143048416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).