1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene

C9H14O3 — CID 45091102

IUPAC1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene
SMILESCOC1C(C)=C(C)C12OCCO2
InChIInChI=1S/C9H14O3/c1-6-7(2)9(8(6)10-3)11-4-5-12-9/h8H,4-5H2,1-3H3
InChIKeyQOYLPMQSSKMQID-UHFFFAOYSA-N
MW170.21 g/mol
LogP1.09
Rot. Bonds1

About 1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene

1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene (PubChem CID 45091102) has the molecular formula C9H14O3 and a molecular weight of 170.21 g/mol. Its IUPAC name is 1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene.

Molecular Properties

Compound Name1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene
PubChem CID45091102
Molecular FormulaC9H14O3
Molecular Weight170.21 g/mol
Exact Mass170.09
IUPAC Name1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene
SMILESCOC1C(C)=C(C)C12OCCO2
InChIInChI=1S/C9H14O3/c1-6-7(2)9(8(6)10-3)11-4-5-12-9/h8H,4-5H2,1-3H3
InChIKeyQOYLPMQSSKMQID-UHFFFAOYSA-N
XLogP1.09
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.21
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

7-methoxy-1,4-dioxaspiro[4.5]decan-8-one
CID 123852944
(4R)-4-methoxy-2,2-dimethyloxane
CID 170120982
4-(2-cyclopropyl-1,3-dioxolan-2-yl)-6-methylpyridin-3-amine
CID 118065123
2'-methoxyspiro[1,3-dioxolane-2,5'-2,3,3a,4,6,6a-hexahydro-1H-pentalene]
CID 76602176
6-methoxy-1,2,3,3-tetramethylcyclohexene
CID 11041115
(2R,3S,4S,5S,6S)-5-methoxy-6-methyloxane-2,3,4-triol
CID 156614259
1-(2-bicyclo[1.1.0]butanyl)-6-methyl-2-oxabicyclo[3.1.0]hex-5-ene
CID 163634699
(7S)-9-bromo-8-methyl-1,4-dioxaspiro[4.4]non-8-en-7-ol
CID 53474575
2-(4-methoxy-2,6-dimethylphenyl)-2-methyl-1,3-dioxolane
CID 83958950
(4,5,6-trihydroxy-3-methoxyoxan-2-yl) formate
CID 58513034
2-[2,2-difluoro-3-(4-methylphenyl)cyclopropyl]-2-phenyl-1,3-dioxolane
CID 11109870
5-methoxyoxolane-2,3,4-triol
CID 122494930

Frequently Asked Questions

What is the IUPAC name of 1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene?
The IUPAC name of 1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene (CID 45091102) is 1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene.
What is the SMILES notation for 1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene?
The canonical SMILES for 1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene is COC1C(C)=C(C)C12OCCO2.
What is the InChIKey of 1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene?
The InChIKey is QOYLPMQSSKMQID-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H14O3/c1-6-7(2)9(8(6)10-3)11-4-5-12-9/h8H,4-5H2,1-3H3.
What are the key properties of 1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene?
1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene has a molecular weight of 170.21 g/mol, XLogP of 1.09, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxy-2,3-dimethyl-5,8-dioxaspiro[3.4]oct-2-ene is sourced from PubChem (CID 45091102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).