1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane

C15H26 — CID 535217

IUPAC1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane
SMILESC=C(C)C1CC(C(=C)C)C(C)C(C)(C)C1
InChIInChI=1S/C15H26/c1-10(2)13-8-14(11(3)4)12(5)15(6,7)9-13/h12-14H,1,3,8-9H2,2,4-7H3
InChIKeyJGZYEZBCFOHEEC-UHFFFAOYSA-N
MW206.37 g/mol
LogP4.83
Rot. Bonds2

About 1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane

1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane (PubChem CID 535217) has the molecular formula C15H26 and a molecular weight of 206.37 g/mol. Its IUPAC name is 1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane.

Molecular Properties

Compound Name1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane
PubChem CID535217
Molecular FormulaC15H26
Molecular Weight206.37 g/mol
Exact Mass206.20
IUPAC Name1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane
SMILESC=C(C)C1CC(C(=C)C)C(C)C(C)(C)C1
InChIInChI=1S/C15H26/c1-10(2)13-8-14(11(3)4)12(5)15(6,7)9-13/h12-14H,1,3,8-9H2,2,4-7H3
InChIKeyJGZYEZBCFOHEEC-UHFFFAOYSA-N
XLogP4.83
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.37
LogP ≤ 54.83
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 1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane?
The IUPAC name of 1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane (CID 535217) is 1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane.
What is the SMILES notation for 1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane?
The canonical SMILES for 1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane is C=C(C)C1CC(C(=C)C)C(C)C(C)(C)C1.
What is the InChIKey of 1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane?
The InChIKey is JGZYEZBCFOHEEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26/c1-10(2)13-8-14(11(3)4)12(5)15(6,7)9-13/h12-14H,1,3,8-9H2,2,4-7H3.
What are the key properties of 1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane?
1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane has a molecular weight of 206.37 g/mol, XLogP of 4.83, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,2-trimethyl-3,5-bis(prop-1-en-2-yl)cyclohexane is sourced from PubChem (CID 535217), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).