(10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one

C14H12O2 — CID 132594325

IUPAC(10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one
SMILESO=C1C[C@@H]2C3Oc4ccccc4C3C3C1[C@@H]32
InChIInChI=1S/C14H12O2/c15-8-5-7-10-12(8)13(10)11-6-3-1-2-4-9(6)16-14(7)11/h1-4,7,10-14H,5H2/t7-,10-,11?,12?,13?,14?/m0/s1
InChIKeyYGRYOAMUFYQCBK-NLZVELFXSA-N
MW212.25 g/mol
LogP2.00
Rot. Bonds

About (10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one

(10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one (PubChem CID 132594325) has the molecular formula C14H12O2 and a molecular weight of 212.25 g/mol. Its IUPAC name is (10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one.

Molecular Properties

Compound Name(10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one
PubChem CID132594325
Molecular FormulaC14H12O2
Molecular Weight212.25 g/mol
Exact Mass212.08
IUPAC Name(10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one
SMILESO=C1C[C@@H]2C3Oc4ccccc4C3C3C1[C@@H]32
InChIInChI=1S/C14H12O2/c15-8-5-7-10-12(8)13(10)11-6-3-1-2-4-9(6)16-14(7)11/h1-4,7,10-14H,5H2/t7-,10-,11?,12?,13?,14?/m0/s1
InChIKeyYGRYOAMUFYQCBK-NLZVELFXSA-N
XLogP2.00
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.25
LogP ≤ 52.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one with MolForge

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Related Compounds

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CID 11194617
1-(1a,6b-dihydro-1H-cyclopropa[b][1]benzofuran-1-yl)ethanone
CID 130027655
13-methoxy-2-oxatetracyclo[8.6.0.03,8.011,16]hexadeca-3,5,7,13-tetraene-12,15-dione
CID 5314107
(1S,2R,4S,5R,6S,7S,14R,15R,16S,17R,19S,20R,21S,22R,29S,30R)-32,34-dioxaundecacyclo[18.10.1.15,16.17,14.122,29.02,19.04,17.06,15.08,13.021,30.023,28]tetratriaconta-8,10,12,23,25,27-hexaene-3,18-dione
CID 101337078
(1S,2R,4S,5R,6S,7S,14R,15R,16S,17R,19S,20R,21S,22S,29R,30R)-32,34-dioxaundecacyclo[18.10.1.15,16.17,14.122,29.02,19.04,17.06,15.08,13.021,30.023,28]tetratriaconta-8,10,12,23,25,27-hexaene-3,18-dione
CID 101337076
6-oxapentacyclo[8.4.0.02,4.03,8.05,9]tetradeca-1(14),10,12-trien-7-one
CID 90482464
(1S,2R,11S,12R)-9,14-dioxapentacyclo[10.8.0.02,11.03,8.015,20]icosa-3,5,7,15,17,19-hexaene-10,13-dione
CID 7730187
(1R,2R,11S,12R)-9,14-dioxapentacyclo[10.8.0.02,11.03,8.015,20]icosa-3,5,7,15,17,19-hexaene-10,13-dione
CID 6541116
dimethyl (1R,2S,10S,11R)-9-oxatetracyclo[9.2.2.02,10.03,8]pentadeca-3,5,7,12-tetraene-12,13-dicarboxylate
CID 12022410
4-methyl-1,2,3,4,4a,9b-hexahydrodibenzofuran
CID 142978777
(1R,2R,3S,5S,6R,9S,10R,13S,14S,15S)-hexacyclo[7.5.1.02,5.03,13.06,15.010,14]pentadec-11-ene-4,8-dione
CID 125033386
(2E,3aS,8bR)-2-[hydroxy(phenyl)methylidene]-3a,8b-dihydro-1H-cyclopenta[b][1]benzofuran-3-one
CID 177404495

Frequently Asked Questions

What is the IUPAC name of (10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one?
The IUPAC name of (10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one (CID 132594325) is (10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one.
What is the SMILES notation for (10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one?
The canonical SMILES for (10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one is O=C1C[C@@H]2C3Oc4ccccc4C3C3C1[C@@H]32.
What is the InChIKey of (10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one?
The InChIKey is YGRYOAMUFYQCBK-NLZVELFXSA-N. The full InChI is InChI=1S/C14H12O2/c15-8-5-7-10-12(8)13(10)11-6-3-1-2-4-9(6)16-14(7)11/h1-4,7,10-14H,5H2/t7-,10-,11?,12?,13?,14?/m0/s1.
What are the key properties of (10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one?
(10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one has a molecular weight of 212.25 g/mol, XLogP of 2.00, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10S,14S)-8-oxapentacyclo[7.6.0.02,7.010,14.013,15]pentadeca-2,4,6-trien-12-one is sourced from PubChem (CID 132594325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).