(1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione

C16H10O3 — CID 102432288

IUPAC(1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione
SMILESC[C@]12C=CC(=O)c3coc(c31)C(=O)c1ccccc12
InChIInChI=1S/C16H10O3/c1-16-7-6-12(17)10-8-19-15(13(10)16)14(18)9-4-2-3-5-11(9)16/h2-8H,1H3/t16-/m1/s1
InChIKeyUDOPYBITCVPEJX-MRXNPFEDSA-N
MW250.25 g/mol
LogP2.88
Rot. Bonds

About (1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione

(1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione (PubChem CID 102432288) has the molecular formula C16H10O3 and a molecular weight of 250.25 g/mol. Its IUPAC name is (1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione.

Molecular Properties

Compound Name(1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione
PubChem CID102432288
Molecular FormulaC16H10O3
Molecular Weight250.25 g/mol
Exact Mass250.06
IUPAC Name(1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione
SMILESC[C@]12C=CC(=O)c3coc(c31)C(=O)c1ccccc12
InChIInChI=1S/C16H10O3/c1-16-7-6-12(17)10-8-19-15(13(10)16)14(18)9-4-2-3-5-11(9)16/h2-8H,1H3/t16-/m1/s1
InChIKeyUDOPYBITCVPEJX-MRXNPFEDSA-N
XLogP2.88
TPSA47.28 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.25
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze (1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione with MolForge

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Related Compounds

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4-hydroperoxy-4-methylnaphthalen-1-one
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(4R)-4-hydroperoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one
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(4S)-4-hydroperoxy-3,4,5-trimethylbenzo[f][1]benzofuran-9-one
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(1R)-17-hydroxy-1-methyl-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2(11),3,6,9,13(20),15-hexaene-5,8,12-trione
CID 166446666
4,4-dimethyl-2-methylidene-3H-naphthalen-1-one
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3-methyl-10'-oxospiro[1,2,4-trioxolane-5,9'-anthracene]-3-olate
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5-hydroxy-5-methylspiro[1,2,4-trioxolane-3,10'-anthracene]-9'-one
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27,28-dioxaoctacyclo[12.12.2.11,15.12,6.08,13.021,26.014,30.019,29]triaconta-2,4,6(30),8,10,12,15,17,19(29),21,23,25-dodecaene-7,20-dione
CID 14969318
ethane;naphthalene-1,4-dione
CID 54088717
2'-sulfanylidenespiro[dioxirane-3,3'-indene]-1'-one
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione?
The IUPAC name of (1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione (CID 102432288) is (1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione.
What is the SMILES notation for (1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione?
The canonical SMILES for (1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione is C[C@]12C=CC(=O)c3coc(c31)C(=O)c1ccccc12.
What is the InChIKey of (1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione?
The InChIKey is UDOPYBITCVPEJX-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H10O3/c1-16-7-6-12(17)10-8-19-15(13(10)16)14(18)9-4-2-3-5-11(9)16/h2-8H,1H3/t16-/m1/s1.
What are the key properties of (1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione?
(1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione has a molecular weight of 250.25 g/mol, XLogP of 2.88, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-methyl-10-oxatetracyclo[7.6.1.02,7.012,16]hexadeca-2,4,6,9(16),11,14-hexaene-8,13-dione is sourced from PubChem (CID 102432288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).