(8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene

C17H26O4 — CID 10685223

IUPAC(8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1=CC2(CC(C)(C)/C1=C\CC1(C)OCCO1)OCCO2
InChIInChI=1S/C17H26O4/c1-13-11-17(20-9-10-21-17)12-15(2,3)14(13)5-6-16(4)18-7-8-19-16/h5,11H,6-10,12H2,1-4H3/b14-5-
InChIKeyBWKCVHGFDKSFPB-RZNTYIFUSA-N
MW294.39 g/mol
LogP3.19
Rot. Bonds2

About (8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene

(8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene (PubChem CID 10685223) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is (8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene.

Molecular Properties

Compound Name(8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene
PubChem CID10685223
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name(8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene
SMILESCC1=CC2(CC(C)(C)/C1=C\CC1(C)OCCO1)OCCO2
InChIInChI=1S/C17H26O4/c1-13-11-17(20-9-10-21-17)12-15(2,3)14(13)5-6-16(4)18-7-8-19-16/h5,11H,6-10,12H2,1-4H3/b14-5-
InChIKeyBWKCVHGFDKSFPB-RZNTYIFUSA-N
XLogP3.19
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,3-Dioxolane, 2-methyl-2-[2-(2,6,6-trimethyl-3-methylene-1-cyclohexen-1-yl)ethenyl]-
CID 616186
2-Methyl-2-[(1E,3E,5E)-4-methyl-6-(2,6,6-trimethyl-1-cyclohexenyl)-1,3,5-hexatrienyl]-1,3-dioxolane
CID 5368079
2-Methyl-2-[2-(2,6,6-trimethyl-3-methylene-cyclohex-1-enyl)-vinyl]-[1,3]dioxolane
CID 5376765
8-[(1E)-buta-1,3-dienyl]-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 10633470
7,9,9-Trimethyl-8-propan-2-ylidene-1,4-dioxaspiro[4.5]dec-6-ene
CID 10775415
(8Z)-8-ethylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 10846054
7,9,9-Trimethyl-8-methylidene-1,4-dioxaspiro[4.5]dec-6-ene
CID 10845495
7,9,9-Trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 15564254
6,8,8-trimethyl-7-[(1E,3E)-3-methylpenta-1,3-dienyl]-1,4-dioxaspiro[4.5]dec-6-ene
CID 19839163
6-[(3E,5E,7E,9E,11E,13E,15E)-18-(3a-methoxy-2,2,4,6,6-pentamethyl-7,7a-dihydro-1,3-benzodioxol-5-yl)-2,17-dimethoxy-3,7,12,16-tetramethyloctadeca-3,5,7,9,11,13,15-heptaenyl]-7a-methoxy-2,2,5,5,7-pentamethyl-3a,4-dihydro-1,3-benzodioxole
CID 59946444
6-[(3E,5E,7E,9E,11E,13E,15E)-18-(3a-methoxy-2,2,4,6,6-pentamethyl-7,7a-dihydro-1,3-benzodioxol-5-yl)-2,17-dimethoxy-3,7,12-trimethyloctadeca-3,5,7,9,11,13,15-heptaenyl]-7a-methoxy-2,2,5,5,7-pentamethyl-3a,4-dihydro-1,3-benzodioxole
CID 59966937
8-But-3-enylidene-7,9,9-trimethyl-1,4-dioxaspiro[4.5]dec-6-ene
CID 85239343

Frequently Asked Questions

What is the IUPAC name of (8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene?
The IUPAC name of (8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene (CID 10685223) is (8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene.
What is the SMILES notation for (8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene?
The canonical SMILES for (8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene is CC1=CC2(CC(C)(C)/C1=C\CC1(C)OCCO1)OCCO2.
What is the InChIKey of (8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene?
The InChIKey is BWKCVHGFDKSFPB-RZNTYIFUSA-N. The full InChI is InChI=1S/C17H26O4/c1-13-11-17(20-9-10-21-17)12-15(2,3)14(13)5-6-16(4)18-7-8-19-16/h5,11H,6-10,12H2,1-4H3/b14-5-.
What are the key properties of (8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene?
(8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene has a molecular weight of 294.39 g/mol, XLogP of 3.19, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (8E)-7,9,9-trimethyl-8-[2-(2-methyl-1,3-dioxolan-2-yl)ethylidene]-1,4-dioxaspiro[4.5]dec-6-ene is sourced from PubChem (CID 10685223), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).