methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate

C15H24O5 — CID 178106605

IUPACmethyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate
SMILESC=CCCCOC1(C(=O)OC)CCCCC12OCCO2
InChIInChI=1S/C15H24O5/c1-3-4-7-10-18-14(13(16)17-2)8-5-6-9-15(14)19-11-12-20-15/h3H,1,4-12H2,2H3
InChIKeySCFDHNPAWINFLT-UHFFFAOYSA-N
MW284.35 g/mol
LogP2.20
Rot. Bonds6

About methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate

methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate (PubChem CID 178106605) has the molecular formula C15H24O5 and a molecular weight of 284.35 g/mol. Its IUPAC name is methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate.

Molecular Properties

Compound Namemethyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate
PubChem CID178106605
Molecular FormulaC15H24O5
Molecular Weight284.35 g/mol
Exact Mass284.16
IUPAC Namemethyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate
SMILESC=CCCCOC1(C(=O)OC)CCCCC12OCCO2
InChIInChI=1S/C15H24O5/c1-3-4-7-10-18-14(13(16)17-2)8-5-6-9-15(14)19-11-12-20-15/h3H,1,4-12H2,2H3
InChIKeySCFDHNPAWINFLT-UHFFFAOYSA-N
XLogP2.20
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.35
LogP ≤ 52.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

Ethyl 6-prop-2-enyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 10858014
methyl (4S,5R)-4-allyl-5-((S)-sec-butyl)-2,2-dimethyl-1,3-dioxolane-4-carboxylate
CID 11010584
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
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
Methyl 1,4-dioxaspiro[4.5]decane-6-carboxylate;prop-1-ene
CID 178106465
Ethane;methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 178106604
ethyl (6S)-6-allyl-1,4-dioxaspiro[4.5]decane-6-carboxylate
CID 10400072
Tert-butyl 2-(2-but-3-enyl-1,3-dioxolan-2-yl)butanoate
CID 23584753

Frequently Asked Questions

What is the IUPAC name of methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The IUPAC name of methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate (CID 178106605) is methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate.
What is the SMILES notation for methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The canonical SMILES for methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate is C=CCCCOC1(C(=O)OC)CCCCC12OCCO2.
What is the InChIKey of methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate?
The InChIKey is SCFDHNPAWINFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24O5/c1-3-4-7-10-18-14(13(16)17-2)8-5-6-9-15(14)19-11-12-20-15/h3H,1,4-12H2,2H3.
What are the key properties of methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate?
methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate has a molecular weight of 284.35 g/mol, XLogP of 2.20, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-pent-4-enoxy-1,4-dioxaspiro[4.5]decane-6-carboxylate is sourced from PubChem (CID 178106605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).