(1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene

C19H14O2 — CID 98390961

IUPAC(1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene
SMILESC[C@@]12OO[C@H](c3ccccc31)c1c2ccc2ccccc12
InChIInChI=1S/C19H14O2/c1-19-15-9-5-4-8-14(15)18(20-21-19)17-13-7-3-2-6-12(13)10-11-16(17)19/h2-11,18H,1H3/t18-,19-/m1/s1
InChIKeyBKPSIVHKYKDHJO-RTBURBONSA-N
MW274.32 g/mol
LogP4.47
Rot. Bonds

About (1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene

(1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene (PubChem CID 98390961) has the molecular formula C19H14O2 and a molecular weight of 274.32 g/mol. Its IUPAC name is (1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene.

Molecular Properties

Compound Name(1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene
PubChem CID98390961
Molecular FormulaC19H14O2
Molecular Weight274.32 g/mol
Exact Mass274.10
IUPAC Name(1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene
SMILESC[C@@]12OO[C@H](c3ccccc31)c1c2ccc2ccccc12
InChIInChI=1S/C19H14O2/c1-19-15-9-5-4-8-14(15)18(20-21-19)17-13-7-3-2-6-12(13)10-11-16(17)19/h2-11,18H,1H3/t18-,19-/m1/s1
InChIKeyBKPSIVHKYKDHJO-RTBURBONSA-N
XLogP4.47
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.32
LogP ≤ 54.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of (1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene?
The IUPAC name of (1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene (CID 98390961) is (1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene.
What is the SMILES notation for (1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene?
The canonical SMILES for (1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene is C[C@@]12OO[C@H](c3ccccc31)c1c2ccc2ccccc12.
What is the InChIKey of (1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene?
The InChIKey is BKPSIVHKYKDHJO-RTBURBONSA-N. The full InChI is InChI=1S/C19H14O2/c1-19-15-9-5-4-8-14(15)18(20-21-19)17-13-7-3-2-6-12(13)10-11-16(17)19/h2-11,18H,1H3/t18-,19-/m1/s1.
What are the key properties of (1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene?
(1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene has a molecular weight of 274.32 g/mol, XLogP of 4.47, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,12R)-12-methyl-19,20-dioxapentacyclo[10.6.2.02,11.03,8.013,18]icosa-2(11),3,5,7,9,13,15,17-octaene is sourced from PubChem (CID 98390961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).