spiro[1,3-dioxolane-2,14'-bicyclo[11.3.0]hexadecane]-2'-one

C18H30O3 — CID 567356

IUPACspiro[1,3-dioxolane-2,14'-bicyclo[11.3.0]hexadecane]-2'-one
SMILESO=C1CCCCCCCCCCC2C1CCC21OCCO1
InChIInChI=1S/C18H30O3/c19-17-10-8-6-4-2-1-3-5-7-9-16-15(17)11-12-18(16)20-13-14-21-18/h15-16H,1-14H2
InChIKeyKREZBFHTTIUKJF-UHFFFAOYSA-N
MW294.44 g/mol
LogP4.24
Rot. Bonds

About spiro[1,3-dioxolane-2,14'-bicyclo[11.3.0]hexadecane]-2'-one

spiro[1,3-dioxolane-2,14'-bicyclo[11.3.0]hexadecane]-2'-one (PubChem CID 567356) has the molecular formula C18H30O3 and a molecular weight of 294.44 g/mol. Its IUPAC name is spiro[1,3-dioxolane-2,14'-bicyclo[11.3.0]hexadecane]-2'-one.

Molecular Properties

Compound Namespiro[1,3-dioxolane-2,14'-bicyclo[11.3.0]hexadecane]-2'-one
PubChem CID567356
Molecular FormulaC18H30O3
Molecular Weight294.44 g/mol
Exact Mass294.22
IUPAC Namespiro[1,3-dioxolane-2,14'-bicyclo[11.3.0]hexadecane]-2'-one
SMILESO=C1CCCCCCCCCCC2C1CCC21OCCO1
InChIInChI=1S/C18H30O3/c19-17-10-8-6-4-2-1-3-5-7-9-16-15(17)11-12-18(16)20-13-14-21-18/h15-16H,1-14H2
InChIKeyKREZBFHTTIUKJF-UHFFFAOYSA-N
XLogP4.24
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.44
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(3'aR,6'aS)-hexahydro-1'H-spiro(1,3-dioxolane-2,2'-pentalen)-5'-one
CID 11030443
(3A'S,6A'S)-Tetrahydro-2'H-spiro[[1,3]dioxolane-2,1'-pentalen]-4'(5'H)-one
CID 12996075
(3'S,3'aR,6'aR)-3'-methylspiro[1,3-dioxolane-2,4'-2,3,3a,5,6,6a-hexahydropentalene]-1'-one
CID 11481005
3-(2-(2-Methyl-1,3-dioxolan-2-yl)ethyl)octan-2-one
CID 25062353
spiro[1,3-dioxolane-2,1'-3,3a,4,6,7,7a-hexahydro-2H-indene]-5'-one
CID 85287811
1-(1,4-Dioxaspiro[4.4]nonan-9-yl)butan-2-one
CID 15122653
(3R)-3-[(2-methyl-1,3-dioxolan-2-yl)methyl]-2-pentylcyclopentan-1-one
CID 135039758
Spiro[azulene-1(4H),2'-[1,3]dioxolan]-4-one, octahydro-7-methyl-, (3aalpha,7beta,8aalpha)-
CID 559651
Decahydroazulen-4-one, 1,1-ethylenedioxy-
CID 559652
5-(1,4-Dioxaspiro[4.4]nonan-9-yl)pentan-2-one
CID 11085113
3-[3-(1,4-Dioxaspiro[4.4]nonan-9-yl)propyl]cyclohexan-1-one
CID 85762482
2,2'-[(7R,8S)-1,4-Dioxaspiro[4.4]nonane-7,8-diyl]diacetaldehyde
CID 12783068

Frequently Asked Questions

What is the IUPAC name of spiro[1,3-dioxolane-2,14'-bicyclo[11.3.0]hexadecane]-2'-one?
The IUPAC name of spiro[1,3-dioxolane-2,14'-bicyclo[11.3.0]hexadecane]-2'-one (CID 567356) is spiro[1,3-dioxolane-2,14'-bicyclo[11.3.0]hexadecane]-2'-one.
What is the SMILES notation for spiro[1,3-dioxolane-2,14'-bicyclo[11.3.0]hexadecane]-2'-one?
The canonical SMILES for spiro[1,3-dioxolane-2,14'-bicyclo[11.3.0]hexadecane]-2'-one is O=C1CCCCCCCCCCC2C1CCC21OCCO1.
What is the InChIKey of spiro[1,3-dioxolane-2,14'-bicyclo[11.3.0]hexadecane]-2'-one?
The InChIKey is KREZBFHTTIUKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30O3/c19-17-10-8-6-4-2-1-3-5-7-9-16-15(17)11-12-18(16)20-13-14-21-18/h15-16H,1-14H2.
What are the key properties of spiro[1,3-dioxolane-2,14'-bicyclo[11.3.0]hexadecane]-2'-one?
spiro[1,3-dioxolane-2,14'-bicyclo[11.3.0]hexadecane]-2'-one has a molecular weight of 294.44 g/mol, XLogP of 4.24, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for spiro[1,3-dioxolane-2,14'-bicyclo[11.3.0]hexadecane]-2'-one is sourced from PubChem (CID 567356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).