11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene

C19H12O2 — CID 123841957

IUPAC11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
SMILESCc1cc2c3ccccc3oc2c2oc3ccccc3c12
InChIInChI=1S/C19H12O2/c1-11-10-14-12-6-2-4-8-15(12)20-18(14)19-17(11)13-7-3-5-9-16(13)21-19/h2-10H,1H3
InChIKeyRMLWJMWLLVXRLR-UHFFFAOYSA-N
MW272.30 g/mol
LogP5.79
Rot. Bonds

About 11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene

11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene (PubChem CID 123841957) has the molecular formula C19H12O2 and a molecular weight of 272.30 g/mol. Its IUPAC name is 11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene.

Molecular Properties

Compound Name11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
PubChem CID123841957
Molecular FormulaC19H12O2
Molecular Weight272.30 g/mol
Exact Mass272.08
IUPAC Name11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene
SMILESCc1cc2c3ccccc3oc2c2oc3ccccc3c12
InChIInChI=1S/C19H12O2/c1-11-10-14-12-6-2-4-8-15(12)20-18(14)19-17(11)13-7-3-5-9-16(13)21-19/h2-10H,1H3
InChIKeyRMLWJMWLLVXRLR-UHFFFAOYSA-N
XLogP5.79
TPSA26.28 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500272.30
LogP ≤ 55.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

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CID 144608278
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CID 144723714
6-methyl-12-phenyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1,4(9),5,7,10,12,14,16,18-nonaene
CID 118288198
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Frequently Asked Questions

What is the IUPAC name of 11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene?
The IUPAC name of 11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene (CID 123841957) is 11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene.
What is the SMILES notation for 11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene?
The canonical SMILES for 11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene is Cc1cc2c3ccccc3oc2c2oc3ccccc3c12.
What is the InChIKey of 11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene?
The InChIKey is RMLWJMWLLVXRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12O2/c1-11-10-14-12-6-2-4-8-15(12)20-18(14)19-17(11)13-7-3-5-9-16(13)21-19/h2-10H,1H3.
What are the key properties of 11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene?
11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene has a molecular weight of 272.30 g/mol, XLogP of 5.79, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-3,20-dioxapentacyclo[11.7.0.02,10.04,9.014,19]icosa-1(13),2(10),4,6,8,11,14,16,18-nonaene is sourced from PubChem (CID 123841957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).