(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate

C13H18O5 — CID 135019160

IUPAC(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=C(C)C2(CCC1)OCCO2
InChIInChI=1S/C13H18O5/c1-3-7-15-12(14)18-11-5-4-6-13(10(11)2)16-8-9-17-13/h3H,1,4-9H2,2H3
InChIKeyJHPQHHBUSULMIW-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.53
Rot. Bonds3

About (6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate

(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate (PubChem CID 135019160) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is (6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate
PubChem CID135019160
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=C(C)C2(CCC1)OCCO2
InChIInChI=1S/C13H18O5/c1-3-7-15-12(14)18-11-5-4-6-13(10(11)2)16-8-9-17-13/h3H,1,4-9H2,2H3
InChIKeyJHPQHHBUSULMIW-UHFFFAOYSA-N
XLogP2.53
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.28
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

[(E)-7-(2,2-dimethyl-1,3-dioxolan-4-yl)-1-methoxycarbonyloxyhept-2-en-4-yl] methyl carbonate
CID 13762314
2-Ethyl-5-[(2-ethyl-1-methoxycyclopent-2-en-1-yl)oxymethyl]oxolane
CID 155615835
2-Ethyl-5-[(1-methoxy-2-methylcyclopent-2-en-1-yl)oxymethyl]oxolane
CID 155615854
7-Methyl-1,4-dioxaspiro[4.5]dec-6-ene;methyl formate
CID 170721286
[(3aR,7S,7aS)-7-acetyloxy-2,2-dimethyl-3a,6,7,7a-tetrahydro-1,3-benzodioxol-5-yl]methyl acetate
CID 101078797
(7-Methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl) prop-2-enyl carbonate
CID 101361400
8-(1-Ethoxyethenyl)-1,4-dioxaspiro[4.5]dec-7-ene
CID 165467801

Frequently Asked Questions

What is the IUPAC name of (6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate?
The IUPAC name of (6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate (CID 135019160) is (6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate.
What is the SMILES notation for (6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate?
The canonical SMILES for (6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate is C=CCOC(=O)OC1=C(C)C2(CCC1)OCCO2.
What is the InChIKey of (6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate?
The InChIKey is JHPQHHBUSULMIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-3-7-15-12(14)18-11-5-4-6-13(10(11)2)16-8-9-17-13/h3H,1,4-9H2,2H3.
What are the key properties of (6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate?
(6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate has a molecular weight of 254.28 g/mol, XLogP of 2.53, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyl-1,4-dioxaspiro[4.5]dec-6-en-7-yl) prop-2-enyl carbonate is sourced from PubChem (CID 135019160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).