1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane

C13H24 — CID 142247047

IUPAC1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane
SMILESC=CCC1C(C)C(C)CC(C)C1C
InChIInChI=1S/C13H24/c1-6-7-13-11(4)9(2)8-10(3)12(13)5/h6,9-13H,1,7-8H2,2-5H3
InChIKeyUWOAVIWREVFCIZ-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.13
Rot. Bonds2

About 1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane

1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane (PubChem CID 142247047) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane.

Molecular Properties

Compound Name1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane
PubChem CID142247047
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane
SMILESC=CCC1C(C)C(C)CC(C)C1C
InChIInChI=1S/C13H24/c1-6-7-13-11(4)9(2)8-10(3)12(13)5/h6,9-13H,1,7-8H2,2-5H3
InChIKeyUWOAVIWREVFCIZ-UHFFFAOYSA-N
XLogP4.13
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.13
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

trans-(1S,4S)-1,2,3,4-tetramethylcyclopentane
CID 58443772
3-methyl-2-prop-2-enylcyclohexan-1-ol
CID 71440529
1,2,3,4,5,6-hexamethylcycloheptane
CID 59131994
1-methyl-2-prop-2-enylcyclohexane
CID 15643404
carbanide;(1S,2S,3R,4R)-1,2,3,4-tetramethylcyclopentane;(yttrium)
CID 163562736
[2-[2-[5-[di(propan-2-yl)-prop-2-enylsilyl]oxy-2,3-dimethylcyclopentyl]ethyl]-3,4-dimethylcyclopentyl]oxy-di(propan-2-yl)-prop-2-enylsilane
CID 58630465
2-methyl-3-prop-2-enylcyclopentan-1-amine
CID 64908752
(1R,2S,3R,4S)-3-prop-2-enylbicyclo[2.2.1]heptan-2-ol
CID 11137354
(4-methyl-2-prop-2-enylcyclohexyl)methanamine
CID 81009983
1-ethyl-3-prop-2-enylcyclobutane
CID 91471466
trimethyl-[(1S,2S,3R,4R)-3-prop-2-enyl-2-bicyclo[2.2.1]hept-5-enyl]stannane
CID 177398138
1,2,4-tris(ethenyl)-5-methylcyclohexane
CID 91133944

Frequently Asked Questions

What is the IUPAC name of 1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane?
The IUPAC name of 1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane (CID 142247047) is 1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane.
What is the SMILES notation for 1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane?
The canonical SMILES for 1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane is C=CCC1C(C)C(C)CC(C)C1C.
What is the InChIKey of 1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane?
The InChIKey is UWOAVIWREVFCIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-6-7-13-11(4)9(2)8-10(3)12(13)5/h6,9-13H,1,7-8H2,2-5H3.
What are the key properties of 1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane?
1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane has a molecular weight of 180.33 g/mol, XLogP of 4.13, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2,4,5-tetramethyl-3-prop-2-enylcyclohexane is sourced from PubChem (CID 142247047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).