(3R,11R)-tricyclo[4.4.1.03,11]undeca-1,5-dien-7-one

C11H12O — CID 11819332

IUPAC(3R,11R)-tricyclo[4.4.1.03,11]undeca-1,5-dien-7-one
SMILESO=C1CCCC2=C[C@H]3CC=C1[C@@H]23
InChIInChI=1S/C11H12O/c12-10-3-1-2-7-6-8-4-5-9(10)11(7)8/h5-6,8,11H,1-4H2/t8-,11+/m1/s1
InChIKeyIDCMHYWPXVMKAP-KCJUWKMLSA-N
MW160.22 g/mol
LogP2.24
Rot. Bonds

About (3R,11R)-tricyclo[4.4.1.03,11]undeca-1,5-dien-7-one

(3R,11R)-tricyclo[4.4.1.03,11]undeca-1,5-dien-7-one (PubChem CID 11819332) has the molecular formula C11H12O and a molecular weight of 160.22 g/mol. Its IUPAC name is (3R,11R)-tricyclo[4.4.1.03,11]undeca-1,5-dien-7-one.

Molecular Properties

Compound Name(3R,11R)-tricyclo[4.4.1.03,11]undeca-1,5-dien-7-one
PubChem CID11819332
Molecular FormulaC11H12O
Molecular Weight160.22 g/mol
Exact Mass160.09
IUPAC Name(3R,11R)-tricyclo[4.4.1.03,11]undeca-1,5-dien-7-one
SMILESO=C1CCCC2=C[C@H]3CC=C1[C@@H]23
InChIInChI=1S/C11H12O/c12-10-3-1-2-7-6-8-4-5-9(10)11(7)8/h5-6,8,11H,1-4H2/t8-,11+/m1/s1
InChIKeyIDCMHYWPXVMKAP-KCJUWKMLSA-N
XLogP2.24
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.22
LogP ≤ 52.24
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

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CID 130737213
5-methylidene-1,2,3,4,4a,4b,6,7,8,9a-decahydrofluorene
CID 175558518
1,2,5,6,7,8,9,9a-octahydrocyclopenta[8]annulen-4-one
CID 11073761
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CID 10987373
4-oxatricyclo[5.2.1.02,6]dec-1(10)-ene-3,5-dione
CID 90064295
2-cyclohex-2-en-1-ylcyclohex-2-en-1-one
CID 101209775
6-methyl-2,3,3a,4,5,6-hexahydroinden-1-one
CID 91257633
6-methoxy-1,2,3,6,7,8,9,9a-octahydrobenzo[7]annulen-4-one
CID 11435495
2-[(1R)-3-oxocycloheptyl]cyclohept-2-en-1-one
CID 11991784
cyclotridecane-1,2-dione
CID 67428267
bicyclo[3.2.0]hept-1(7)-ene
CID 86002949

Frequently Asked Questions

What is the IUPAC name of (3R,11R)-tricyclo[4.4.1.03,11]undeca-1,5-dien-7-one?
The IUPAC name of (3R,11R)-tricyclo[4.4.1.03,11]undeca-1,5-dien-7-one (CID 11819332) is (3R,11R)-tricyclo[4.4.1.03,11]undeca-1,5-dien-7-one.
What is the SMILES notation for (3R,11R)-tricyclo[4.4.1.03,11]undeca-1,5-dien-7-one?
The canonical SMILES for (3R,11R)-tricyclo[4.4.1.03,11]undeca-1,5-dien-7-one is O=C1CCCC2=C[C@H]3CC=C1[C@@H]23.
What is the InChIKey of (3R,11R)-tricyclo[4.4.1.03,11]undeca-1,5-dien-7-one?
The InChIKey is IDCMHYWPXVMKAP-KCJUWKMLSA-N. The full InChI is InChI=1S/C11H12O/c12-10-3-1-2-7-6-8-4-5-9(10)11(7)8/h5-6,8,11H,1-4H2/t8-,11+/m1/s1.
What are the key properties of (3R,11R)-tricyclo[4.4.1.03,11]undeca-1,5-dien-7-one?
(3R,11R)-tricyclo[4.4.1.03,11]undeca-1,5-dien-7-one has a molecular weight of 160.22 g/mol, XLogP of 2.24, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,11R)-tricyclo[4.4.1.03,11]undeca-1,5-dien-7-one is sourced from PubChem (CID 11819332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).