ethane;1-prop-2-enylspiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one

C17H28O3 — CID 142378392

IUPACethane;1-prop-2-enylspiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one
SMILESC=CCC1C(=O)CCC2C1CCCC21OCCO1.CC
InChIInChI=1S/C15H22O3.C2H6/c1-2-4-12-11-5-3-8-15(17-9-10-18-15)13(11)6-7-14(12)16;1-2/h2,11-13H,1,3-10H2;1-2H3
InChIKeyBLQBVQAOUGVWRK-UHFFFAOYSA-N
MW280.41 g/mol
LogP3.73
Rot. Bonds2

About ethane;1-prop-2-enylspiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one

ethane;1-prop-2-enylspiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one (PubChem CID 142378392) has the molecular formula C17H28O3 and a molecular weight of 280.41 g/mol. Its IUPAC name is ethane;1-prop-2-enylspiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one.

Molecular Properties

Compound Nameethane;1-prop-2-enylspiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one
PubChem CID142378392
Molecular FormulaC17H28O3
Molecular Weight280.41 g/mol
Exact Mass280.20
IUPAC Nameethane;1-prop-2-enylspiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one
SMILESC=CCC1C(=O)CCC2C1CCCC21OCCO1.CC
InChIInChI=1S/C15H22O3.C2H6/c1-2-4-12-11-5-3-8-15(17-9-10-18-15)13(11)6-7-14(12)16;1-2/h2,11-13H,1,3-10H2;1-2H3
InChIKeyBLQBVQAOUGVWRK-UHFFFAOYSA-N
XLogP3.73
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.41
LogP ≤ 53.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 ethane;1-prop-2-enylspiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one?
The IUPAC name of ethane;1-prop-2-enylspiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one (CID 142378392) is ethane;1-prop-2-enylspiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one.
What is the SMILES notation for ethane;1-prop-2-enylspiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one?
The canonical SMILES for ethane;1-prop-2-enylspiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one is C=CCC1C(=O)CCC2C1CCCC21OCCO1.CC.
What is the InChIKey of ethane;1-prop-2-enylspiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one?
The InChIKey is BLQBVQAOUGVWRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O3.C2H6/c1-2-4-12-11-5-3-8-15(17-9-10-18-15)13(11)6-7-14(12)16;1-2/h2,11-13H,1,3-10H2;1-2H3.
What are the key properties of ethane;1-prop-2-enylspiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one?
ethane;1-prop-2-enylspiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one has a molecular weight of 280.41 g/mol, XLogP of 3.73, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;1-prop-2-enylspiro[1,3,4,4a,6,7,8,8a-octahydronaphthalene-5,2'-1,3-dioxolane]-2-one is sourced from PubChem (CID 142378392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).