1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene

C16H14O — CID 73241797

IUPAC1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene
SMILESCC12C=CC(C)(O1)c1c2ccc2ccccc12
InChIInChI=1S/C16H14O/c1-15-9-10-16(2,17-15)14-12-6-4-3-5-11(12)7-8-13(14)15/h3-10H,1-2H3
InChIKeyXGUQEGQQPYVQIK-UHFFFAOYSA-N
MW222.29 g/mol
LogP3.87
Rot. Bonds

About 1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene

1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene (PubChem CID 73241797) has the molecular formula C16H14O and a molecular weight of 222.29 g/mol. Its IUPAC name is 1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene.

Molecular Properties

Compound Name1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene
PubChem CID73241797
Molecular FormulaC16H14O
Molecular Weight222.29 g/mol
Exact Mass222.10
IUPAC Name1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene
SMILESCC12C=CC(C)(O1)c1c2ccc2ccccc12
InChIInChI=1S/C16H14O/c1-15-9-10-16(2,17-15)14-12-6-4-3-5-11(12)7-8-13(14)15/h3-10H,1-2H3
InChIKeyXGUQEGQQPYVQIK-UHFFFAOYSA-N
XLogP3.87
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 53.87
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene with MolForge

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Related Compounds

1,12-diphenyl-19-oxapentacyclo[10.6.1.02,11.03,8.013,18]nonadeca-2(11),3,5,7,9,13,15,17-octaene
CID 14982726
12,12,14,14-tetramethyl-13-azapentacyclo[13.8.0.02,11.03,8.018,23]tricosa-1(15),2(11),3,5,7,9,16,18,20,22-decaene
CID 11792273
12,12-dimethylpentacyclo[11.8.0.02,11.03,8.016,21]henicosa-1(13),2(11),3,5,7,9,14,16,18,20-decaene;ethene
CID 91481070
11,11-dimethylbenzo[a]fluorene;ethane
CID 144938734
2-(1-bromonaphthalen-2-yl)-2-methyl-1,3-dioxole
CID 141067188
15-methylhexacyclo[12.11.0.02,11.05,10.016,25.017,22]pentacosa-1(14),2(11),3,5,7,9,12,16(25),17,19,21,23-dodecaen-15-ol
CID 143060369
ethane;methane;phenanthrene
CID 144938954
ethane;methane;phenanthrene
CID 144939263
15,15-dimethylhexacyclo[12.11.0.02,11.04,9.016,25.017,22]pentacosa-1(14),2,4,6,8,10,12,16(25),17,19,21,23-dodecaene;ethane
CID 91017254
phenanthrene;sulfane
CID 159172584
phenanthrene;phosphane
CID 161431298
9,9-dimethyl-1-spiro[benzo[a]fluorene-11,9'-fluorene]-1'-ylxanthene
CID 170019541

Frequently Asked Questions

What is the IUPAC name of 1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene?
The IUPAC name of 1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene (CID 73241797) is 1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene.
What is the SMILES notation for 1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene?
The canonical SMILES for 1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene is CC12C=CC(C)(O1)c1c2ccc2ccccc12.
What is the InChIKey of 1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene?
The InChIKey is XGUQEGQQPYVQIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14O/c1-15-9-10-16(2,17-15)14-12-6-4-3-5-11(12)7-8-13(14)15/h3-10H,1-2H3.
What are the key properties of 1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene?
1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene has a molecular weight of 222.29 g/mol, XLogP of 3.87, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,12-dimethyl-15-oxatetracyclo[10.2.1.02,11.03,8]pentadeca-2(11),3,5,7,9,13-hexaene is sourced from PubChem (CID 73241797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).