8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane

C16H26O4 — CID 11033330

IUPAC8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane
SMILESCOCOCC1(C(C)=C2CC2)CCC2(CC1)OCCO2
InChIInChI=1S/C16H26O4/c1-13(14-3-4-14)15(11-18-12-17-2)5-7-16(8-6-15)19-9-10-20-16/h3-12H2,1-2H3
InChIKeyWTGRJCFNAYGNAA-UHFFFAOYSA-N
MW282.38 g/mol
LogP3.02
Rot. Bonds5

About 8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane

8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane (PubChem CID 11033330) has the molecular formula C16H26O4 and a molecular weight of 282.38 g/mol. Its IUPAC name is 8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane
PubChem CID11033330
Molecular FormulaC16H26O4
Molecular Weight282.38 g/mol
Exact Mass282.18
IUPAC Name8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane
SMILESCOCOCC1(C(C)=C2CC2)CCC2(CC1)OCCO2
InChIInChI=1S/C16H26O4/c1-13(14-3-4-14)15(11-18-12-17-2)5-7-16(8-6-15)19-9-10-20-16/h3-12H2,1-2H3
InChIKeyWTGRJCFNAYGNAA-UHFFFAOYSA-N
XLogP3.02
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.38
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-[8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decan-8-yl]-2-methylcyclobutan-1-one
CID 10968537
ethyl 8-(methoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 121279376
8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylic acid
CID 157424143
ethyl 8-(phenylmethoxymethyl)-1,4-dioxaspiro[4.5]decane-8-carboxylate
CID 58399380
8,8-bis(ethoxymethyl)-1,4-dioxaspiro[4.5]decane
CID 90461642
8-(ethoxymethyl)-8-ethyl-1,4-dioxaspiro[4.5]decane
CID 123388267
8-(3-methoxypropyl)-N,N-dimethyl-1,4-dioxaspiro[4.5]decan-8-amine
CID 68842849
1,4-dioxaspiro[4.5]decan-8-ylidene(pentan-3-yloxy)methanol
CID 101007314
methyl 2-[8-(cyanomethyl)-1,4-dioxaspiro[4.5]decan-8-yl]acetate
CID 178102236
1-bromo-1-(1-cyclopropylideneethyl)cyclopropane
CID 12567926
(3'R,4'S,8'S)-8'-(methoxymethoxymethyl)-3',4',8'-trimethyl-4'-[2-(2-methyl-1,3-dioxolan-2-yl)ethyl]spiro[1,3-dioxolane-2,6'-2,3,5,7-tetrahydro-1H-naphthalene]
CID 101225993
1-(8-hydroxy-1,4-dioxaspiro[4.5]decan-8-yl)ethanone
CID 151473274

Frequently Asked Questions

What is the IUPAC name of 8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane (CID 11033330) is 8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane is COCOCC1(C(C)=C2CC2)CCC2(CC1)OCCO2.
What is the InChIKey of 8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane?
The InChIKey is WTGRJCFNAYGNAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26O4/c1-13(14-3-4-14)15(11-18-12-17-2)5-7-16(8-6-15)19-9-10-20-16/h3-12H2,1-2H3.
What are the key properties of 8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane?
8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane has a molecular weight of 282.38 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1-cyclopropylideneethyl)-8-(methoxymethoxymethyl)-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 11033330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).