8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane

C12H20O3 — CID 11593711

IUPAC8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
SMILESC=CCC1(OC)CCC2(CC1)OCCO2
InChIInChI=1S/C12H20O3/c1-3-4-11(13-2)5-7-12(8-6-11)14-9-10-15-12/h3H,1,4-10H2,2H3
InChIKeyCWCBBFUNNIGVSP-UHFFFAOYSA-N
MW212.29 g/mol
LogP2.26
Rot. Bonds3

About 8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane

8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane (PubChem CID 11593711) has the molecular formula C12H20O3 and a molecular weight of 212.29 g/mol. Its IUPAC name is 8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane.

Molecular Properties

Compound Name8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
PubChem CID11593711
Molecular FormulaC12H20O3
Molecular Weight212.29 g/mol
Exact Mass212.14
IUPAC Name8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
SMILESC=CCC1(OC)CCC2(CC1)OCCO2
InChIInChI=1S/C12H20O3/c1-3-4-11(13-2)5-7-12(8-6-11)14-9-10-15-12/h3H,1,4-10H2,2H3
InChIKeyCWCBBFUNNIGVSP-UHFFFAOYSA-N
XLogP2.26
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 52.26
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

8-prop-2-enyl-1,4-dioxaspiro[4.5]decane
CID 130067842
1-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)-2-(1-methoxycyclobutyl)ethanone
CID 103520062
6a-methoxy-3a-prop-2-enyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
CID 11298330
2-(4-methoxyoxan-4-yl)acetaldehyde
CID 105430923
2-prop-2-enyl-2-(2-prop-2-enyloxetan-2-yl)oxyoxetane
CID 23118642
8-(1-trimethylsilylbut-3-en-2-yl)-1,4-dioxaspiro[4.5]decan-8-ol
CID 177488499
3,3-dimethyl-9-prop-2-enyl-1,5-dioxaspiro[5.5]undecan-9-ol
CID 67995672
dimethyl (7S,9S)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate
CID 124565082
dimethyl (7S,9R)-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7,9-dicarboxylate
CID 124565083
tert-butyl N-[(2S)-1-(8-methoxy-1,4-dioxaspiro[4.5]decan-8-yl)propan-2-yl]carbamate
CID 170551087
1-(8-ethyl-1,4-dioxaspiro[4.5]decan-8-yl)prop-2-en-1-amine
CID 68990663
1-ethoxy-4,4-difluoro-1-prop-2-enylcyclohexane
CID 122552776

Frequently Asked Questions

What is the IUPAC name of 8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane?
The IUPAC name of 8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane (CID 11593711) is 8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane.
What is the SMILES notation for 8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane?
The canonical SMILES for 8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane is C=CCC1(OC)CCC2(CC1)OCCO2.
What is the InChIKey of 8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane?
The InChIKey is CWCBBFUNNIGVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20O3/c1-3-4-11(13-2)5-7-12(8-6-11)14-9-10-15-12/h3H,1,4-10H2,2H3.
What are the key properties of 8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane?
8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane has a molecular weight of 212.29 g/mol, XLogP of 2.26, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methoxy-8-prop-2-enyl-1,4-dioxaspiro[4.5]decane is sourced from PubChem (CID 11593711), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).