(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl) prop-2-enyl carbonate

C13H18O5 — CID 101361400

IUPAC(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=C(C)CC2(CC1)OCCO2
InChIInChI=1S/C13H18O5/c1-3-6-15-12(14)18-11-4-5-13(9-10(11)2)16-7-8-17-13/h3H,1,4-9H2,2H3
InChIKeyOQJGAWONOADIJG-UHFFFAOYSA-N
MW254.28 g/mol
LogP2.53
Rot. Bonds3

About (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl) prop-2-enyl carbonate

(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl) prop-2-enyl carbonate (PubChem CID 101361400) has the molecular formula C13H18O5 and a molecular weight of 254.28 g/mol. Its IUPAC name is (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl) prop-2-enyl carbonate.

Molecular Properties

Compound Name(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl) prop-2-enyl carbonate
PubChem CID101361400
Molecular FormulaC13H18O5
Molecular Weight254.28 g/mol
Exact Mass254.12
IUPAC Name(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl) prop-2-enyl carbonate
SMILESC=CCOC(=O)OC1=C(C)CC2(CC1)OCCO2
InChIInChI=1S/C13H18O5/c1-3-6-15-12(14)18-11-4-5-13(9-10(11)2)16-7-8-17-13/h3H,1,4-9H2,2H3
InChIKeyOQJGAWONOADIJG-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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Frequently Asked Questions

What is the IUPAC name of (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl) prop-2-enyl carbonate?
The IUPAC name of (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl) prop-2-enyl carbonate (CID 101361400) is (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl) prop-2-enyl carbonate.
What is the SMILES notation for (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl) prop-2-enyl carbonate?
The canonical SMILES for (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl) prop-2-enyl carbonate is C=CCOC(=O)OC1=C(C)CC2(CC1)OCCO2.
What is the InChIKey of (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl) prop-2-enyl carbonate?
The InChIKey is OQJGAWONOADIJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18O5/c1-3-6-15-12(14)18-11-4-5-13(9-10(11)2)16-7-8-17-13/h3H,1,4-9H2,2H3.
What are the key properties of (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl) prop-2-enyl carbonate?
(7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-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 (7-methyl-1,4-dioxaspiro[4.5]dec-7-en-8-yl) prop-2-enyl carbonate is sourced from PubChem (CID 101361400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).