14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one

C14H6O2 — CID 146015026

IUPAC14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one
SMILESO=c1c2c3c(c4c(c12)O4)-c1ccccc1C3
InChIInChI=1S/C14H6O2/c15-12-10-8-5-6-3-1-2-4-7(6)9(8)13-14(16-13)11(10)12/h1-4H,5H2
InChIKeyJGJXZCPAQYTFMD-UHFFFAOYSA-N
MW206.20 g/mol
LogP2.75
Rot. Bonds

About 14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one

14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one (PubChem CID 146015026) has the molecular formula C14H6O2 and a molecular weight of 206.20 g/mol. Its IUPAC name is 14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one.

Molecular Properties

Compound Name14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one
PubChem CID146015026
Molecular FormulaC14H6O2
Molecular Weight206.20 g/mol
Exact Mass206.04
IUPAC Name14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one
SMILESO=c1c2c3c(c4c(c12)O4)-c1ccccc1C3
InChIInChI=1S/C14H6O2/c15-12-10-8-5-6-3-1-2-4-7(6)9(8)13-14(16-13)11(10)12/h1-4H,5H2
InChIKeyJGJXZCPAQYTFMD-UHFFFAOYSA-N
XLogP2.75
TPSA29.60 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.20
LogP ≤ 52.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Related Compounds

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CID 58971145
11H-benzo[c][1]benzoxepin-6-one
CID 827435
11-phenylhexacyclo[17.2.1.02,10.04,9.012,21.015,20]docosa-1,4,6,8,10,12(21),13,15(20),16,18-decaen-22-one
CID 10761532
octacyclo[20.7.1.02,21.03,11.04,9.012,20.014,19.026,30]triaconta-1(29),2,4,6,8,11,14,16,18,20,22,24,26(30),27-tetradecaene
CID 86174446
tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene-9,10-dione
CID 606622
1-(9H-fluoren-1-yl)-9H-fluorene
CID 19077838
9-thiaheptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1,3,5,7,10,12,14,16,19,21,23,25-dodecaen-18-one
CID 101408170
1-[2,3,4,5,6-pentakis(9H-fluoren-1-yl)phenyl]-9H-fluorene
CID 141308542
1,2,3,4-tetrahydroxy-10H-anthracen-9-one
CID 91457355
9H-fluorene-1,2,3,4-tetramine
CID 67197336
pentacyclo[12.7.0.02,7.08,13.015,20]henicosa-1(14),2,4,6,8,10,12,15,17,19-decaene-3-carbaldehyde
CID 177323935
ethene;9H-fluorene
CID 159544077

Frequently Asked Questions

What is the IUPAC name of 14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one?
The IUPAC name of 14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one (CID 146015026) is 14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one.
What is the SMILES notation for 14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one?
The canonical SMILES for 14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one is O=c1c2c3c(c4c(c12)O4)-c1ccccc1C3.
What is the InChIKey of 14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one?
The InChIKey is JGJXZCPAQYTFMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6O2/c15-12-10-8-5-6-3-1-2-4-7(6)9(8)13-14(16-13)11(10)12/h1-4H,5H2.
What are the key properties of 14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one?
14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one has a molecular weight of 206.20 g/mol, XLogP of 2.75, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxapentacyclo[7.6.0.02,7.010,12.013,15]pentadeca-1(15),2,4,6,9,12-hexaen-11-one is sourced from PubChem (CID 146015026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).