methyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate

C13H20O4 — CID 178106277

IUPACmethyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
SMILESC=CC[C@]1(C(=O)OC)CCCCC12OCCO2
InChIInChI=1S/C13H20O4/c1-3-6-12(11(14)15-2)7-4-5-8-13(12)16-9-10-17-13/h3H,1,4-10H2,2H3/t12-/m1/s1
InChIKeyCFTORQCZOUFFEV-GFCCVEGCSA-N
MW240.30 g/mol
LogP2.04
Rot. Bonds3

About methyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate

methyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate (PubChem CID 178106277) has the molecular formula C13H20O4 and a molecular weight of 240.30 g/mol. Its IUPAC name is methyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate.

Molecular Properties

Compound Namemethyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
PubChem CID178106277
Molecular FormulaC13H20O4
Molecular Weight240.30 g/mol
Exact Mass240.14
IUPAC Namemethyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
SMILESC=CC[C@]1(C(=O)OC)CCCCC12OCCO2
InChIInChI=1S/C13H20O4/c1-3-6-12(11(14)15-2)7-4-5-8-13(12)16-9-10-17-13/h3H,1,4-10H2,2H3/t12-/m1/s1
InChIKeyCFTORQCZOUFFEV-GFCCVEGCSA-N
XLogP2.04
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 52.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Methyl 8-oxo-7-prop-2-enyl-1,4-dioxaspiro[4.5]decane-7-carboxylate
CID 11118603
methyl (9R)-9-[(2R)-but-3-en-2-yl]-1,4-dioxaspiro[4.4]nonane-9-carboxylate
CID 371781
1,4-Dioxaspiro[4.5]decane-6-carboxylic acid, 6-methyl-, ethyl ester
CID 567367
Ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 10858014
1-[(6S)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-6-yl]but-3-en-1-one
CID 101140095
(6S)-6-methyl-6-prop-2-enyl-1,4-dioxaspiro[4.5]decan-7-one
CID 10608520
Dimethyl 2-[2-[2-methyl-3-(2-methyl-1,3-dioxolan-2-yl)prop-1-enylidene]hexanoyl]-2-prop-2-enylpropanedioate
CID 15933176
Methyl 10'-ethenylspiro[1,3-dioxolane-2,9'-3-oxabicyclo[4.3.1]decane]-1'-carboxylate
CID 162419140
Methyl 4-(1-methylallyl)-6,9-dioxaspiro[4.4]nonane-4-carboxylate
CID 495237
1-(8-Vinyl-1,4-dioxaspiro[4.5]dec-8-yl)acetone
CID 11053303
1,4-Dioxadispiro[4.0.56.45]pentadec-9-en-7-one
CID 11806268
Ethyl 2-but-3-enyl-2-(2-methyl-1,3-dioxolan-2-yl)hex-5-enoate
CID 23254622

Frequently Asked Questions

What is the IUPAC name of methyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The IUPAC name of methyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate (CID 178106277) is methyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate.
What is the SMILES notation for methyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The canonical SMILES for methyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate is C=CC[C@]1(C(=O)OC)CCCCC12OCCO2.
What is the InChIKey of methyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The InChIKey is CFTORQCZOUFFEV-GFCCVEGCSA-N. The full InChI is InChI=1S/C13H20O4/c1-3-6-12(11(14)15-2)7-4-5-8-13(12)16-9-10-17-13/h3H,1,4-10H2,2H3/t12-/m1/s1.
What are the key properties of methyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate?
methyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 2.04, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate is sourced from PubChem (CID 178106277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).