10-methylidenetricyclo[4.3.2.01,6]undecan-7-one

C12H16O — CID 130030751

IUPAC10-methylidenetricyclo[4.3.2.01,6]undecan-7-one
SMILESC=C1CC23CCCCC12CCC3=O
InChIInChI=1S/C12H16O/c1-9-8-12-6-3-2-5-11(9,12)7-4-10(12)13/h1-8H2
InChIKeyNGXXGFYTQHEXRH-UHFFFAOYSA-N
MW176.26 g/mol
LogP2.86
Rot. Bonds

About 10-methylidenetricyclo[4.3.2.01,6]undecan-7-one

10-methylidenetricyclo[4.3.2.01,6]undecan-7-one (PubChem CID 130030751) has the molecular formula C12H16O and a molecular weight of 176.26 g/mol. Its IUPAC name is 10-methylidenetricyclo[4.3.2.01,6]undecan-7-one.

Molecular Properties

Compound Name10-methylidenetricyclo[4.3.2.01,6]undecan-7-one
PubChem CID130030751
Molecular FormulaC12H16O
Molecular Weight176.26 g/mol
Exact Mass176.12
IUPAC Name10-methylidenetricyclo[4.3.2.01,6]undecan-7-one
SMILESC=C1CC23CCCCC12CCC3=O
InChIInChI=1S/C12H16O/c1-9-8-12-6-3-2-5-11(9,12)7-4-10(12)13/h1-8H2
InChIKeyNGXXGFYTQHEXRH-UHFFFAOYSA-N
XLogP2.86
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.26
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(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
(1R,6R)-tricyclo[4.4.1.01,6]undecane-2,7-dione
CID 130765311
10-ethenyl-10-hydroxyspiro[4.5]decan-6-one
CID 155931172
(5R)-9-methylidenespiro[4.4]nonan-4-one
CID 101143196
(1R,6R,9R)-6-methyl-10-methylidenetricyclo[7.2.1.01,6]dodecane-2,8-dione
CID 102436648
tricyclo[3.3.2.01,5]decan-9-one
CID 12564319
dimethyl (3aS,7aS)-3a,7a-dimethyl-3-methylidene-4-oxo-2,5,6,7-tetrahydroindene-1,1-dicarboxylate
CID 101411624
trispiro[3.0.0.46.25.24]tetradecan-11-one
CID 23727770
(5R)-trispiro[3.0.0.46.25.24]tetradecan-11-one
CID 23727846
2-methylidene-1-prop-2-enylcycloheptan-1-ol
CID 580411
4,4-dimethyl-1-methylidenespiro[4.5]decan-10-one
CID 175807409

Frequently Asked Questions

What is the IUPAC name of 10-methylidenetricyclo[4.3.2.01,6]undecan-7-one?
The IUPAC name of 10-methylidenetricyclo[4.3.2.01,6]undecan-7-one (CID 130030751) is 10-methylidenetricyclo[4.3.2.01,6]undecan-7-one.
What is the SMILES notation for 10-methylidenetricyclo[4.3.2.01,6]undecan-7-one?
The canonical SMILES for 10-methylidenetricyclo[4.3.2.01,6]undecan-7-one is C=C1CC23CCCCC12CCC3=O.
What is the InChIKey of 10-methylidenetricyclo[4.3.2.01,6]undecan-7-one?
The InChIKey is NGXXGFYTQHEXRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16O/c1-9-8-12-6-3-2-5-11(9,12)7-4-10(12)13/h1-8H2.
What are the key properties of 10-methylidenetricyclo[4.3.2.01,6]undecan-7-one?
10-methylidenetricyclo[4.3.2.01,6]undecan-7-one has a molecular weight of 176.26 g/mol, XLogP of 2.86, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 10-methylidenetricyclo[4.3.2.01,6]undecan-7-one is sourced from PubChem (CID 130030751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).