2-[2-(5-ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane

C18H30O2 — CID 90905000

IUPAC2-[2-(5-ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane
SMILESCC=C1C(CCC2(C)OCCO2)=C(C)CCC1(C)CC
InChIInChI=1S/C18H30O2/c1-6-16-15(9-11-18(5)19-12-13-20-18)14(3)8-10-17(16,4)7-2/h6H,7-13H2,1-5H3
InChIKeyVKGYTYHBJYIENR-UHFFFAOYSA-N
MW278.44 g/mol
LogP5.00
Rot. Bonds4

About 2-[2-(5-ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane

2-[2-(5-ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane (PubChem CID 90905000) has the molecular formula C18H30O2 and a molecular weight of 278.44 g/mol. Its IUPAC name is 2-[2-(5-ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[2-(5-ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane
PubChem CID90905000
Molecular FormulaC18H30O2
Molecular Weight278.44 g/mol
Exact Mass278.22
IUPAC Name2-[2-(5-ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane
SMILESCC=C1C(CCC2(C)OCCO2)=C(C)CCC1(C)CC
InChIInChI=1S/C18H30O2/c1-6-16-15(9-11-18(5)19-12-13-20-18)14(3)8-10-17(16,4)7-2/h6H,7-13H2,1-5H3
InChIKeyVKGYTYHBJYIENR-UHFFFAOYSA-N
XLogP5.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500278.44
LogP ≤ 55.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane?
The IUPAC name of 2-[2-(5-ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane (CID 90905000) is 2-[2-(5-ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[2-(5-ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane?
The canonical SMILES for 2-[2-(5-ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane is CC=C1C(CCC2(C)OCCO2)=C(C)CCC1(C)CC.
What is the InChIKey of 2-[2-(5-ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane?
The InChIKey is VKGYTYHBJYIENR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O2/c1-6-16-15(9-11-18(5)19-12-13-20-18)14(3)8-10-17(16,4)7-2/h6H,7-13H2,1-5H3.
What are the key properties of 2-[2-(5-ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane?
2-[2-(5-ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane has a molecular weight of 278.44 g/mol, XLogP of 5.00, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-ethyl-6-ethylidene-2,5-dimethylcyclohexen-1-yl)ethyl]-2-methyl-1,3-dioxolane is sourced from PubChem (CID 90905000), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).