3-ethenylidene-4-ethylidene-1,1-dimethyl-5-methylidenecyclohexane

C13H18 — CID 123934795

IUPAC3-ethenylidene-4-ethylidene-1,1-dimethyl-5-methylidenecyclohexane
SMILESC=C=C1CC(C)(C)CC(=C)C1=CC
InChIInChI=1S/C13H18/c1-6-11-9-13(4,5)8-10(3)12(11)7-2/h7H,1,3,8-9H2,2,4-5H3
InChIKeyZJQFPMOHZMDZMY-UHFFFAOYSA-N
MW174.29 g/mol
LogP4.02
Rot. Bonds

About 3-ethenylidene-4-ethylidene-1,1-dimethyl-5-methylidenecyclohexane

3-ethenylidene-4-ethylidene-1,1-dimethyl-5-methylidenecyclohexane (PubChem CID 123934795) has the molecular formula C13H18 and a molecular weight of 174.29 g/mol. Its IUPAC name is 3-ethenylidene-4-ethylidene-1,1-dimethyl-5-methylidenecyclohexane.

Molecular Properties

Compound Name3-ethenylidene-4-ethylidene-1,1-dimethyl-5-methylidenecyclohexane
PubChem CID123934795
Molecular FormulaC13H18
Molecular Weight174.29 g/mol
Exact Mass174.14
IUPAC Name3-ethenylidene-4-ethylidene-1,1-dimethyl-5-methylidenecyclohexane
SMILESC=C=C1CC(C)(C)CC(=C)C1=CC
InChIInChI=1S/C13H18/c1-6-11-9-13(4,5)8-10(3)12(11)7-2/h7H,1,3,8-9H2,2,4-5H3
InChIKeyZJQFPMOHZMDZMY-UHFFFAOYSA-N
XLogP4.02
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.29
LogP ≤ 54.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 3-ethenylidene-4-ethylidene-1,1-dimethyl-5-methylidenecyclohexane?
The IUPAC name of 3-ethenylidene-4-ethylidene-1,1-dimethyl-5-methylidenecyclohexane (CID 123934795) is 3-ethenylidene-4-ethylidene-1,1-dimethyl-5-methylidenecyclohexane.
What is the SMILES notation for 3-ethenylidene-4-ethylidene-1,1-dimethyl-5-methylidenecyclohexane?
The canonical SMILES for 3-ethenylidene-4-ethylidene-1,1-dimethyl-5-methylidenecyclohexane is C=C=C1CC(C)(C)CC(=C)C1=CC.
What is the InChIKey of 3-ethenylidene-4-ethylidene-1,1-dimethyl-5-methylidenecyclohexane?
The InChIKey is ZJQFPMOHZMDZMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18/c1-6-11-9-13(4,5)8-10(3)12(11)7-2/h7H,1,3,8-9H2,2,4-5H3.
What are the key properties of 3-ethenylidene-4-ethylidene-1,1-dimethyl-5-methylidenecyclohexane?
3-ethenylidene-4-ethylidene-1,1-dimethyl-5-methylidenecyclohexane has a molecular weight of 174.29 g/mol, XLogP of 4.02, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethenylidene-4-ethylidene-1,1-dimethyl-5-methylidenecyclohexane is sourced from PubChem (CID 123934795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).