4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one

C20H32O3 — CID 20809938

IUPAC4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one
SMILESO=C1CCC(CCC2CCC3CC4(CCC3C2)OCCO4)CC1
InChIInChI=1S/C20H32O3/c21-19-7-4-15(5-8-19)1-2-16-3-6-18-14-20(22-11-12-23-20)10-9-17(18)13-16/h15-18H,1-14H2
InChIKeySJLILSNNSLVFCY-UHFFFAOYSA-N
MW320.47 g/mol
LogP4.49
Rot. Bonds3

About 4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one

4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one (PubChem CID 20809938) has the molecular formula C20H32O3 and a molecular weight of 320.47 g/mol. Its IUPAC name is 4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one
PubChem CID20809938
Molecular FormulaC20H32O3
Molecular Weight320.47 g/mol
Exact Mass320.24
IUPAC Name4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one
SMILESO=C1CCC(CCC2CCC3CC4(CCC3C2)OCCO4)CC1
InChIInChI=1S/C20H32O3/c21-19-7-4-15(5-8-19)1-2-16-3-6-18-14-20(22-11-12-23-20)10-9-17(18)13-16/h15-18H,1-14H2
InChIKeySJLILSNNSLVFCY-UHFFFAOYSA-N
XLogP4.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one?
The IUPAC name of 4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one (CID 20809938) is 4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one.
What is the SMILES notation for 4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one?
The canonical SMILES for 4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one is O=C1CCC(CCC2CCC3CC4(CCC3C2)OCCO4)CC1.
What is the InChIKey of 4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one?
The InChIKey is SJLILSNNSLVFCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H32O3/c21-19-7-4-15(5-8-19)1-2-16-3-6-18-14-20(22-11-12-23-20)10-9-17(18)13-16/h15-18H,1-14H2.
What are the key properties of 4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one?
4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one has a molecular weight of 320.47 g/mol, XLogP of 4.49, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-spiro[1,3-dioxolane-2,6'-2,3,4,4a,5,7,8,8a-octahydro-1H-naphthalene]-2'-ylethyl)cyclohexan-1-one is sourced from PubChem (CID 20809938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).