trispiro[3.0.0.46.25.24]tetradecan-11-one

C14H20O — CID 23727770

IUPACtrispiro[3.0.0.46.25.24]tetradecan-11-one
SMILESO=C1CC2(CCC23CCC3)C12CCCC2
InChIInChI=1S/C14H20O/c15-11-10-14(13(11)6-1-2-7-13)9-8-12(14)4-3-5-12/h1-10H2
InChIKeyHXMBRBYLNFJYFF-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.47
Rot. Bonds

About trispiro[3.0.0.46.25.24]tetradecan-11-one

trispiro[3.0.0.46.25.24]tetradecan-11-one (PubChem CID 23727770) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is trispiro[3.0.0.46.25.24]tetradecan-11-one.

Molecular Properties

Compound Nametrispiro[3.0.0.46.25.24]tetradecan-11-one
PubChem CID23727770
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Nametrispiro[3.0.0.46.25.24]tetradecan-11-one
SMILESO=C1CC2(CCC23CCC3)C12CCCC2
InChIInChI=1S/C14H20O/c15-11-10-14(13(11)6-1-2-7-13)9-8-12(14)4-3-5-12/h1-10H2
InChIKeyHXMBRBYLNFJYFF-UHFFFAOYSA-N
XLogP3.47
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

(5R)-trispiro[3.0.0.46.25.24]tetradecan-11-one
CID 23727846
tricyclo[3.3.2.01,5]decan-9-one
CID 12564319
(1S,5S)-4,4-dimethyltricyclo[3.3.1.01,5]nonan-2-one
CID 14060945
(1S,6R)-tricyclo[4.3.1.01,6]decan-7-one
CID 13167045
(1R,7S)-tricyclo[5.3.1.01,7]undecan-8-one
CID 13167047
dispiro[2.0.34.43]undecan-11-one
CID 121217052
6-azadispiro[2.0.34.33]decane-5,7-dione
CID 19899295
10-methylidenetricyclo[4.3.2.01,6]undecan-7-one
CID 130030751
2,2-dimethylspiro[2.4]heptan-1-one
CID 130031044
tricyclo[3.3.2.01,5]decane-3,7-dione
CID 130831623
(1S,6S)-3-oxatricyclo[4.4.4.01,6]tetradec-8-ene-2,4-dione
CID 98164295
(1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione
CID 130765311

Frequently Asked Questions

What is the IUPAC name of trispiro[3.0.0.46.25.24]tetradecan-11-one?
The IUPAC name of trispiro[3.0.0.46.25.24]tetradecan-11-one (CID 23727770) is trispiro[3.0.0.46.25.24]tetradecan-11-one.
What is the SMILES notation for trispiro[3.0.0.46.25.24]tetradecan-11-one?
The canonical SMILES for trispiro[3.0.0.46.25.24]tetradecan-11-one is O=C1CC2(CCC23CCC3)C12CCCC2.
What is the InChIKey of trispiro[3.0.0.46.25.24]tetradecan-11-one?
The InChIKey is HXMBRBYLNFJYFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c15-11-10-14(13(11)6-1-2-7-13)9-8-12(14)4-3-5-12/h1-10H2.
What are the key properties of trispiro[3.0.0.46.25.24]tetradecan-11-one?
trispiro[3.0.0.46.25.24]tetradecan-11-one has a molecular weight of 204.31 g/mol, XLogP of 3.47, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trispiro[3.0.0.46.25.24]tetradecan-11-one is sourced from PubChem (CID 23727770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).