pentacyclo[7.5.0.02,8.03,12.05,11]tetradeca-6,13-dien-4-one

C14H14O — CID 102239353

IUPACpentacyclo[7.5.0.02,8.03,12.05,11]tetradeca-6,13-dien-4-one
SMILESO=C1C2C=CC3C4CC2C2C=CC4C3C12
InChIInChI=1S/C14H14O/c15-14-9-4-3-7-10-5-11(9)8-2-1-6(10)12(7)13(8)14/h1-4,6-13H,5H2
InChIKeyDHCSYKRBIAPXGT-UHFFFAOYSA-N
MW198.27 g/mol
LogP2.06
Rot. Bonds

About pentacyclo[7.5.0.02,8.03,12.05,11]tetradeca-6,13-dien-4-one

pentacyclo[7.5.0.02,8.03,12.05,11]tetradeca-6,13-dien-4-one (PubChem CID 102239353) has the molecular formula C14H14O and a molecular weight of 198.27 g/mol. Its IUPAC name is pentacyclo[7.5.0.02,8.03,12.05,11]tetradeca-6,13-dien-4-one.

Molecular Properties

Compound Namepentacyclo[7.5.0.02,8.03,12.05,11]tetradeca-6,13-dien-4-one
PubChem CID102239353
Molecular FormulaC14H14O
Molecular Weight198.27 g/mol
Exact Mass198.10
IUPAC Namepentacyclo[7.5.0.02,8.03,12.05,11]tetradeca-6,13-dien-4-one
SMILESO=C1C2C=CC3C4CC2C2C=CC4C3C12
InChIInChI=1S/C14H14O/c15-14-9-4-3-7-10-5-11(9)8-2-1-6(10)12(7)13(8)14/h1-4,6-13H,5H2
InChIKeyDHCSYKRBIAPXGT-UHFFFAOYSA-N
XLogP2.06
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 52.06
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,2R,4S,5S,6R,8S,9R)-4-bromotetracyclo[6.3.0.02,6.05,9]undec-10-en-3-one
CID 2316340
(1S,2R,6S,7S,8R,10S)-4-oxatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 124604678
(1R,2R,6S,7R,8S,10R)-4-oxatetracyclo[5.3.2.02,6.08,10]dodec-11-ene-3,5-dione
CID 99726446
(1S,2R,3S,4S,5R,9S,10R,15R)-7-oxaheptacyclo[9.6.2.02,10.03,15.04,12.05,9.014,18]nonadec-16-ene-6,8-dione
CID 10265793
(1S,2R,5R,7S)-tricyclo[3.2.1.02,7]oct-3-en-6-one
CID 131138904
(2S,6R,8R,10S)-4-amino-5-hydroxy-4-azatetracyclo[5.3.2.02,6.08,10]dodec-11-en-3-one
CID 134377457
9-oxotricyclo[4.2.1.03,7]non-4-ene-2-carbonitrile
CID 130037436
(1S,2S,3R,4R,5R,7S,9R,11R,12S,15R)-heptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione
CID 124784970
(1S,2S,3S,4R,5S,7R,9R,11S,12S,15S)-heptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione
CID 98557481
(1S,2R,3S,4R,5S,7R,9S,11S,12S,15S)-heptacyclo[9.6.0.02,9.03,7.04,17.05,15.012,16]heptadec-13-ene-6,10-dione
CID 98557480
(1S,2R,3S,6S,7S,8S,10S,11S)-pentacyclo[6.4.0.02,7.03,11.06,10]dodec-4-ene-9,12-dione
CID 124536586
(1S,2S,3R,5S,6S,7S,9R,10S)-pentacyclo[5.4.0.02,6.03,10.05,9]undecane-8,11-dione
CID 124710529

Frequently Asked Questions

What is the IUPAC name of pentacyclo[7.5.0.02,8.03,12.05,11]tetradeca-6,13-dien-4-one?
The IUPAC name of pentacyclo[7.5.0.02,8.03,12.05,11]tetradeca-6,13-dien-4-one (CID 102239353) is pentacyclo[7.5.0.02,8.03,12.05,11]tetradeca-6,13-dien-4-one.
What is the SMILES notation for pentacyclo[7.5.0.02,8.03,12.05,11]tetradeca-6,13-dien-4-one?
The canonical SMILES for pentacyclo[7.5.0.02,8.03,12.05,11]tetradeca-6,13-dien-4-one is O=C1C2C=CC3C4CC2C2C=CC4C3C12.
What is the InChIKey of pentacyclo[7.5.0.02,8.03,12.05,11]tetradeca-6,13-dien-4-one?
The InChIKey is DHCSYKRBIAPXGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14O/c15-14-9-4-3-7-10-5-11(9)8-2-1-6(10)12(7)13(8)14/h1-4,6-13H,5H2.
What are the key properties of pentacyclo[7.5.0.02,8.03,12.05,11]tetradeca-6,13-dien-4-one?
pentacyclo[7.5.0.02,8.03,12.05,11]tetradeca-6,13-dien-4-one has a molecular weight of 198.27 g/mol, XLogP of 2.06, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[7.5.0.02,8.03,12.05,11]tetradeca-6,13-dien-4-one is sourced from PubChem (CID 102239353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).