14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene

C13H10O — CID 177435064

IUPAC14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene
SMILESC1=Cc2cc3c(cc2C1)C1C=CC3O1
InChIInChI=1S/C13H10O/c1-2-8-6-10-11(7-9(8)3-1)13-5-4-12(10)14-13/h1-2,4-7,12-13H,3H2
InChIKeyNBUGHOLFGJPCBT-UHFFFAOYSA-N
MW182.22 g/mol
LogP2.94
Rot. Bonds

About 14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene

14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene (PubChem CID 177435064) has the molecular formula C13H10O and a molecular weight of 182.22 g/mol. Its IUPAC name is 14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene.

Molecular Properties

Compound Name14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene
PubChem CID177435064
Molecular FormulaC13H10O
Molecular Weight182.22 g/mol
Exact Mass182.07
IUPAC Name14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene
SMILESC1=Cc2cc3c(cc2C1)C1C=CC3O1
InChIInChI=1S/C13H10O/c1-2-8-6-10-11(7-9(8)3-1)13-5-4-12(10)14-13/h1-2,4-7,12-13H,3H2
InChIKeyNBUGHOLFGJPCBT-UHFFFAOYSA-N
XLogP2.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.22
LogP ≤ 52.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

Analyze 14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene with MolForge

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Related Compounds

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CID 159780019
heptacyclo[14.10.1.02,10.04,8.012,27.018,26.020,24]heptacosa-2(10),3,5,8,12(27),13,15,18(26),19,22,24-undecaene
CID 163448536
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Frequently Asked Questions

What is the IUPAC name of 14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene?
The IUPAC name of 14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene (CID 177435064) is 14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene.
What is the SMILES notation for 14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene?
The canonical SMILES for 14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene is C1=Cc2cc3c(cc2C1)C1C=CC3O1.
What is the InChIKey of 14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene?
The InChIKey is NBUGHOLFGJPCBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10O/c1-2-8-6-10-11(7-9(8)3-1)13-5-4-12(10)14-13/h1-2,4-7,12-13H,3H2.
What are the key properties of 14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene?
14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene has a molecular weight of 182.22 g/mol, XLogP of 2.94, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 14-oxatetracyclo[9.2.1.02,10.04,8]tetradeca-2(10),3,5,8,12-pentaene is sourced from PubChem (CID 177435064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).