13-oxadispiro[4.0.66.25]tetradecan-14-one

C13H20O2 — CID 10465651

IUPAC13-oxadispiro[4.0.66.25]tetradecan-14-one
SMILESO=C1OC2(CCCCCC2)C12CCCC2
InChIInChI=1S/C13H20O2/c14-11-12(7-5-6-8-12)13(15-11)9-3-1-2-4-10-13/h1-10H2
InChIKeyWVLWFWGLGVCXCD-UHFFFAOYSA-N
MW208.30 g/mol
LogP3.20
Rot. Bonds

About 13-oxadispiro[4.0.66.25]tetradecan-14-one

13-oxadispiro[4.0.66.25]tetradecan-14-one (PubChem CID 10465651) has the molecular formula C13H20O2 and a molecular weight of 208.30 g/mol. Its IUPAC name is 13-oxadispiro[4.0.66.25]tetradecan-14-one.

Molecular Properties

Compound Name13-oxadispiro[4.0.66.25]tetradecan-14-one
PubChem CID10465651
Molecular FormulaC13H20O2
Molecular Weight208.30 g/mol
Exact Mass208.15
IUPAC Name13-oxadispiro[4.0.66.25]tetradecan-14-one
SMILESO=C1OC2(CCCCCC2)C12CCCC2
InChIInChI=1S/C13H20O2/c14-11-12(7-5-6-8-12)13(15-11)9-3-1-2-4-10-13/h1-10H2
InChIKeyWVLWFWGLGVCXCD-UHFFFAOYSA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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10-oxatricyclo[4.3.1.01,6]decan-7-one
CID 549133
(1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one
CID 13167047
(1S)-1-methyl-11-oxadispiro[2.1.55.23]dodecane-4,12-dione
CID 101112121
4-imino-1-oxa-3-azaspiro[4.5]decan-2-one
CID 137346492
CID 139190869
CID 139190869
6,10-dioxaspiro[4.5]decane-7,9-dione;5,9-dioxaspiro[3.5]nonane-6,8-dione;1,5-dioxaspiro[5.5]undecane-2,4-dione
CID 159322778
8,14,20,28-tetraoxapentaspiro[4.0.2.49.1.415.36.0.423.15]octacosane-7,21-dione
CID 54217029
2,2-dimethylspiro[2.4]heptan-1-one
CID 130031044
11-oxadispiro[2.0.64.13]undecane
CID 24976266
CID 1294556
CID 1294556

Frequently Asked Questions

What is the IUPAC name of 13-oxadispiro[4.0.66.25]tetradecan-14-one?
The IUPAC name of 13-oxadispiro[4.0.66.25]tetradecan-14-one (CID 10465651) is 13-oxadispiro[4.0.66.25]tetradecan-14-one.
What is the SMILES notation for 13-oxadispiro[4.0.66.25]tetradecan-14-one?
The canonical SMILES for 13-oxadispiro[4.0.66.25]tetradecan-14-one is O=C1OC2(CCCCCC2)C12CCCC2.
What is the InChIKey of 13-oxadispiro[4.0.66.25]tetradecan-14-one?
The InChIKey is WVLWFWGLGVCXCD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2/c14-11-12(7-5-6-8-12)13(15-11)9-3-1-2-4-10-13/h1-10H2.
What are the key properties of 13-oxadispiro[4.0.66.25]tetradecan-14-one?
13-oxadispiro[4.0.66.25]tetradecan-14-one has a molecular weight of 208.30 g/mol, XLogP of 3.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 13-oxadispiro[4.0.66.25]tetradecan-14-one is sourced from PubChem (CID 10465651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).