6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one

C15H20O3 — CID 73240820

IUPAC6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one
SMILESCC1=C2CC3(C)C(C)CCC4OC43CC2OC1=O
InChIInChI=1S/C15H20O3/c1-8-4-5-12-15(18-12)7-11-10(6-14(8,15)3)9(2)13(16)17-11/h8,11-12H,4-7H2,1-3H3
InChIKeySTNOVCSCDYMEBT-UHFFFAOYSA-N
MW248.32 g/mol
LogP2.60
Rot. Bonds

About 6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one

6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one (PubChem CID 73240820) has the molecular formula C15H20O3 and a molecular weight of 248.32 g/mol. Its IUPAC name is 6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one.

Molecular Properties

Compound Name6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one
PubChem CID73240820
Molecular FormulaC15H20O3
Molecular Weight248.32 g/mol
Exact Mass248.14
IUPAC Name6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one
SMILESCC1=C2CC3(C)C(C)CCC4OC43CC2OC1=O
InChIInChI=1S/C15H20O3/c1-8-4-5-12-15(18-12)7-11-10(6-14(8,15)3)9(2)13(16)17-11/h8,11-12H,4-7H2,1-3H3
InChIKeySTNOVCSCDYMEBT-UHFFFAOYSA-N
XLogP2.60
TPSA38.83 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.32
LogP ≤ 52.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one with MolForge

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Related Compounds

(1S,3R,7R,9R,10S,13R)-9,10-dimethyl-6-methylidene-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradecan-5-one
CID 14357574
(4aS,8R,8aS,9aS)-4a,8-dihydroxy-3,5,8a-trimethyl-7,8,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2-one
CID 162959301
6-ethyl-11-hydroxy-9,10-dimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one
CID 162871130
3-ethoxy-6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one
CID 162860169
7-hydroxy-3,4a,5-trimethyl-4,5,6,7,8,8a,9,9a-octahydrobenzo[f][1]benzofuran-2-one
CID 162933430
8-methoxy-3,8,12-trimethyl-4,14-dioxatricyclo[9.3.0.03,5]tetradec-11-en-13-one
CID 162925443
5-hydroxy-1,5,8-trimethyl-3a,4,5a,6,8a,9-hexahydroazuleno[6,5-b]furan-2-one
CID 85256299
(3aS,5R,5aR,8aR)-5-hydroxy-1,5,8-trimethyl-3a,4,5a,6,8a,9-hexahydroazuleno[6,5-b]furan-2-one
CID 10753082
(4aR,5R,6R,8aR,9aS)-6-hydroxy-3,5,8a-trimethyl-4,4a,5,6,7,8,9,9a-octahydrobenzo[f][1]benzofuran-2-one
CID 10911943
(8a,9-dihydroxy-3,4a,5-trimethyl-2-oxo-5,6,7,8,9,9a-hexahydro-4H-benzo[f][1]benzofuran-8-yl) 2-methylbut-2-enoate
CID 162955970
(6R)-3,6-dimethyl-5,6,7,7a-tetrahydro-4H-1-benzofuran-2-one
CID 14734005
(4aR,8S,8aR,9aS)-8-hydroxy-3,8a-dimethyl-4a,8,9,9a-tetrahydro-4H-benzo[f][1]benzofuran-2,5-dione
CID 71573616

Frequently Asked Questions

What is the IUPAC name of 6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one?
The IUPAC name of 6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one (CID 73240820) is 6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one.
What is the SMILES notation for 6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one?
The canonical SMILES for 6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one is CC1=C2CC3(C)C(C)CCC4OC43CC2OC1=O.
What is the InChIKey of 6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one?
The InChIKey is STNOVCSCDYMEBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20O3/c1-8-4-5-12-15(18-12)7-11-10(6-14(8,15)3)9(2)13(16)17-11/h8,11-12H,4-7H2,1-3H3.
What are the key properties of 6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one?
6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one has a molecular weight of 248.32 g/mol, XLogP of 2.60, 0 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6,9,10-trimethyl-4,14-dioxatetracyclo[7.5.0.01,13.03,7]tetradec-6-en-5-one is sourced from PubChem (CID 73240820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).