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

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

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Related Compounds

1,3-Dioxolane, 2,4-dimethyl-2-[2-(2,6,6-trimethyl-2-cyclohexen-1-yl)ethyl]-
CID 109421
2-Methyl-2-[2-(2,6,6-trimethylcyclohexen-1-yl)ethyl]-1,3-dioxolane
CID 2278540
4a'-Methyl-3',4',4a',5',6',7'-hexahydro-1'h-spiro[1,3-dioxolane-2,2'-naphthalene]
CID 270622
2-[2-[(1R,3S)-2,2-dimethyl-3-(5-methylidenecyclopenten-1-yl)cyclopropyl]ethyl]-2-methyl-1,3-dioxolane
CID 134900981
7,9,9-Trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene
CID 10845495
7-Ethenyl-6,6-dimethyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 10679352
(4aS)-4a-methylspiro[1,2,3,5,6,7-hexahydronaphthalene-4,2'-1,3-dioxolane]
CID 11435732
7'a-methylspiro[1,3-dioxolane-2,5'-2,4,6,7-tetrahydro-1H-indene]
CID 12435758
7'a-methylspiro[1,3-dioxolane-2,7'-2,4,5,6-tetrahydro-1H-indene]
CID 75219741
4-Methyl-9,12-dioxadispiro[4.2.48.25]tetradec-3-ene
CID 102387986
2-methyl-2-[(1R,6R)-1,4,6-trimethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134979642
2-methyl-2-[(1S,6R)-1,2,3,4,6-pentamethylcyclohex-3-en-1-yl]-1,3-dioxolane
CID 134980023

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).