2-methyl-2-[(E)-2-(2,6,6-trimethyl-3-methylidenecyclohexen-1-yl)ethenyl]-1,3-dioxolane

C16H24O2 — CID 5376765

IUPAC2-methyl-2-[(E)-2-(2,6,6-trimethyl-3-methylidenecyclohexen-1-yl)ethenyl]-1,3-dioxolane
SMILESC=C1CCC(C)(C)C(/C=C/C2(C)OCCO2)=C1C
InChIInChI=1S/C16H24O2/c1-12-6-8-15(3,4)14(13(12)2)7-9-16(5)17-10-11-18-16/h7,9H,1,6,8,10-11H2,2-5H3/b9-7+
InChIKeyHJCONJPTRBGRCR-VQHVLOKHSA-N
MW248.37 g/mol
LogP4.00
Rot. Bonds2

About 2-methyl-2-[(E)-2-(2,6,6-trimethyl-3-methylidenecyclohexen-1-yl)ethenyl]-1,3-dioxolane

2-methyl-2-[(E)-2-(2,6,6-trimethyl-3-methylidenecyclohexen-1-yl)ethenyl]-1,3-dioxolane (PubChem CID 5376765) has the molecular formula C16H24O2 and a molecular weight of 248.37 g/mol. Its IUPAC name is 2-methyl-2-[(E)-2-(2,6,6-trimethyl-3-methylidenecyclohexen-1-yl)ethenyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(E)-2-(2,6,6-trimethyl-3-methylidenecyclohexen-1-yl)ethenyl]-1,3-dioxolane
PubChem CID5376765
Molecular FormulaC16H24O2
Molecular Weight248.37 g/mol
Exact Mass248.18
IUPAC Name2-methyl-2-[(E)-2-(2,6,6-trimethyl-3-methylidenecyclohexen-1-yl)ethenyl]-1,3-dioxolane
SMILESC=C1CCC(C)(C)C(/C=C/C2(C)OCCO2)=C1C
InChIInChI=1S/C16H24O2/c1-12-6-8-15(3,4)14(13(12)2)7-9-16(5)17-10-11-18-16/h7,9H,1,6,8,10-11H2,2-5H3/b9-7+
InChIKeyHJCONJPTRBGRCR-VQHVLOKHSA-N
XLogP4.00
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.37
LogP ≤ 54.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-2-(2,6,6-trimethyl-3-methylidenecyclohexen-1-yl)ethenyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(E)-2-(2,6,6-trimethyl-3-methylidenecyclohexen-1-yl)ethenyl]-1,3-dioxolane (CID 5376765) is 2-methyl-2-[(E)-2-(2,6,6-trimethyl-3-methylidenecyclohexen-1-yl)ethenyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(E)-2-(2,6,6-trimethyl-3-methylidenecyclohexen-1-yl)ethenyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(E)-2-(2,6,6-trimethyl-3-methylidenecyclohexen-1-yl)ethenyl]-1,3-dioxolane is C=C1CCC(C)(C)C(/C=C/C2(C)OCCO2)=C1C.
What is the InChIKey of 2-methyl-2-[(E)-2-(2,6,6-trimethyl-3-methylidenecyclohexen-1-yl)ethenyl]-1,3-dioxolane?
The InChIKey is HJCONJPTRBGRCR-VQHVLOKHSA-N. The full InChI is InChI=1S/C16H24O2/c1-12-6-8-15(3,4)14(13(12)2)7-9-16(5)17-10-11-18-16/h7,9H,1,6,8,10-11H2,2-5H3/b9-7+.
What are the key properties of 2-methyl-2-[(E)-2-(2,6,6-trimethyl-3-methylidenecyclohexen-1-yl)ethenyl]-1,3-dioxolane?
2-methyl-2-[(E)-2-(2,6,6-trimethyl-3-methylidenecyclohexen-1-yl)ethenyl]-1,3-dioxolane has a molecular weight of 248.37 g/mol, XLogP of 4.00, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-2-(2,6,6-trimethyl-3-methylidenecyclohexen-1-yl)ethenyl]-1,3-dioxolane is sourced from PubChem (CID 5376765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).