(1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one

C15H16O2 — CID 101242054

IUPAC(1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
SMILESO=C1O[C@H]2C[C@H]3CCCC[C@@]13c1ccccc12
InChIInChI=1S/C15H16O2/c16-14-15-8-4-3-5-10(15)9-13(17-14)11-6-1-2-7-12(11)15/h1-2,6-7,10,13H,3-5,8-9H2/t10-,13+,15-/m1/s1
InChIKeyHSOIVCSIMYJDSU-RIEGTJTDSA-N
MW228.29 g/mol
LogP3.12
Rot. Bonds

About (1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one

(1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one (PubChem CID 101242054) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one.

Molecular Properties

Compound Name(1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
PubChem CID101242054
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one
SMILESO=C1O[C@H]2C[C@H]3CCCC[C@@]13c1ccccc12
InChIInChI=1S/C15H16O2/c16-14-15-8-4-3-5-10(15)9-13(17-14)11-6-1-2-7-12(11)15/h1-2,6-7,10,13H,3-5,8-9H2/t10-,13+,15-/m1/s1
InChIKeyHSOIVCSIMYJDSU-RIEGTJTDSA-N
XLogP3.12
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one with MolForge

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Related Compounds

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CID 44563444
Benzyl ursolate
CID 67952979
S14-95
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3H-2-Benzopyran-3-one, 1,4-dihydro-1-phenyl-
CID 211126
(4aS,6aS,6bR,8aS,12aS,12bR,14bS)-benzyl 2,2,6a,6b,9,9,12a-heptamethyl-11-oxo-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
CID 25099095
(1R,4aS,6aS,6bR,8aS,11S,12aS,12bR,14bS)-benzyl 11-hydroxy-1,2,2,6a,6b,9,9,12a-octamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
CID 46882844
(4aS,6aS,6bR,8aS,11R,12aS,12bR,14bS)-benzyl 11-hydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,2,3,4,4a,5,6,6a,6b,7,8,8a,9,10,11,12,12a,12b,13,14b-icosahydropicene-4a-carboxylate
CID 46882849
benzyl (4aS,6aR,6aR,6bR,8aR,10S,12aR,14R,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylate
CID 56676909
benzyl (4aS,6aR,6aR,6bR,8aR,10S,12aR,14S,14aR,14bS)-10,14-dihydroxy-2,2,6a,6b,9,9,12a-heptamethyl-1,3,4,5,6,6a,7,8,8a,10,11,12,13,14,14a,14b-hexadecahydropicene-4a-carboxylate
CID 56683557
3beta-Acetoxy-12-oxoolean-28-oic acid benzyl ester
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CID 76336356

Frequently Asked Questions

What is the IUPAC name of (1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one?
The IUPAC name of (1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one (CID 101242054) is (1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one.
What is the SMILES notation for (1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one?
The canonical SMILES for (1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one is O=C1O[C@H]2C[C@H]3CCCC[C@@]13c1ccccc12.
What is the InChIKey of (1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one?
The InChIKey is HSOIVCSIMYJDSU-RIEGTJTDSA-N. The full InChI is InChI=1S/C15H16O2/c16-14-15-8-4-3-5-10(15)9-13(17-14)11-6-1-2-7-12(11)15/h1-2,6-7,10,13H,3-5,8-9H2/t10-,13+,15-/m1/s1.
What are the key properties of (1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one?
(1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one has a molecular weight of 228.29 g/mol, XLogP of 3.12, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,8S,10R)-16-oxatetracyclo[6.6.2.01,10.02,7]hexadeca-2,4,6-trien-15-one is sourced from PubChem (CID 101242054), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).