1,1,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane

C13H24 — CID 14774308

IUPAC1,1,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(C)(C)CC1(C)C
InChIInChI=1S/C13H24/c1-10(2)11-7-8-12(3,4)9-13(11,5)6/h11H,1,7-9H2,2-6H3
InChIKeyCGKUZZXPPXLFDW-UHFFFAOYSA-N
MW180.33 g/mol
LogP4.41
Rot. Bonds1

About 1,1,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane

1,1,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane (PubChem CID 14774308) has the molecular formula C13H24 and a molecular weight of 180.33 g/mol. Its IUPAC name is 1,1,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane.

Molecular Properties

Compound Name1,1,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane
PubChem CID14774308
Molecular FormulaC13H24
Molecular Weight180.33 g/mol
Exact Mass180.19
IUPAC Name1,1,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane
SMILESC=C(C)C1CCC(C)(C)CC1(C)C
InChIInChI=1S/C13H24/c1-10(2)11-7-8-12(3,4)9-13(11,5)6/h11H,1,7-9H2,2-6H3
InChIKeyCGKUZZXPPXLFDW-UHFFFAOYSA-N
XLogP4.41
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.33
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1,1,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane?
The IUPAC name of 1,1,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane (CID 14774308) is 1,1,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane.
What is the SMILES notation for 1,1,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane?
The canonical SMILES for 1,1,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane is C=C(C)C1CCC(C)(C)CC1(C)C.
What is the InChIKey of 1,1,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane?
The InChIKey is CGKUZZXPPXLFDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24/c1-10(2)11-7-8-12(3,4)9-13(11,5)6/h11H,1,7-9H2,2-6H3.
What are the key properties of 1,1,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane?
1,1,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane has a molecular weight of 180.33 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,5,5-tetramethyl-2-prop-1-en-2-ylcyclohexane is sourced from PubChem (CID 14774308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).