methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene

C13H22O4 — CID 178106465

IUPACmethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene
SMILESC=CC.COC(=O)C1CCCCC12OCCO2
InChIInChI=1S/C10H16O4.C3H6/c1-12-9(11)8-4-2-3-5-10(8)13-6-7-14-10;1-3-2/h8H,2-7H2,1H3;3H,1H2,2H3
InChIKeyAOQYKLMLXPFERK-UHFFFAOYSA-N
MW242.31 g/mol
LogP2.29
Rot. Bonds1

About methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene

methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene (PubChem CID 178106465) has the molecular formula C13H22O4 and a molecular weight of 242.31 g/mol. Its IUPAC name is methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene.

Molecular Properties

Compound Namemethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene
PubChem CID178106465
Molecular FormulaC13H22O4
Molecular Weight242.31 g/mol
Exact Mass242.15
IUPAC Namemethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene
SMILESC=CC.COC(=O)C1CCCCC12OCCO2
InChIInChI=1S/C10H16O4.C3H6/c1-12-9(11)8-4-2-3-5-10(8)13-6-7-14-10;1-3-2/h8H,2-7H2,1H3;3H,1H2,2H3
InChIKeyAOQYKLMLXPFERK-UHFFFAOYSA-N
XLogP2.29
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.31
LogP ≤ 52.29
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

Ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 336004
Ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 10858014
Methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 12869104
Ethyl (R)-6-Allyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 168850829
Ethyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene
CID 171648820
Methyl 8-(oxomethylidene)-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 177931330
propan-2-yl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 178105165
methyl (6R)-6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 178106277
(6S)-1,4-dioxaspiro[4.5]decane-6-carboxylic acid;prop-1-ene
CID 178106283
Ethane;methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 178106604
Methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 178106605
1,4-Dioxaspiro[4.5]decane-6-carboxylic acid;prop-1-ene
CID 178107409

Frequently Asked Questions

What is the IUPAC name of methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene?
The IUPAC name of methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene (CID 178106465) is methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene.
What is the SMILES notation for methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene?
The canonical SMILES for methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene is C=CC.COC(=O)C1CCCCC12OCCO2.
What is the InChIKey of methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene?
The InChIKey is AOQYKLMLXPFERK-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O4.C3H6/c1-12-9(11)8-4-2-3-5-10(8)13-6-7-14-10;1-3-2/h8H,2-7H2,1H3;3H,1H2,2H3.
What are the key properties of methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene?
methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene has a molecular weight of 242.31 g/mol, XLogP of 2.29, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene is sourced from PubChem (CID 178106465), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).