13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene

C21H14 — CID 13440491

IUPAC13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
SMILESCc1ccc2c3c(cc4ccccc42)-c2ccccc2-c13
InChIInChI=1S/C21H14/c1-13-10-11-18-15-7-3-2-6-14(15)12-19-16-8-4-5-9-17(16)20(13)21(18)19/h2-12H,1H3
InChIKeyRTQQCRRPYSNANT-UHFFFAOYSA-N
MW266.34 g/mol
LogP5.95
Rot. Bonds

About 13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene

13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene (PubChem CID 13440491) has the molecular formula C21H14 and a molecular weight of 266.34 g/mol. Its IUPAC name is 13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene.

Molecular Properties

Compound Name13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
PubChem CID13440491
Molecular FormulaC21H14
Molecular Weight266.34 g/mol
Exact Mass266.11
IUPAC Name13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene
SMILESCc1ccc2c3c(cc4ccccc42)-c2ccccc2-c13
InChIInChI=1S/C21H14/c1-13-10-11-18-15-7-3-2-6-14(15)12-19-16-8-4-5-9-17(16)20(13)21(18)19/h2-12H,1H3
InChIKeyRTQQCRRPYSNANT-UHFFFAOYSA-N
XLogP5.95
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500266.34
LogP ≤ 55.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Polycyclic_aromatic_hydrocarbon_3', 'substructure': 'N/A'}

Analyze 13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?
The IUPAC name of 13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene (CID 13440491) is 13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene.
What is the SMILES notation for 13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?
The canonical SMILES for 13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene is Cc1ccc2c3c(cc4ccccc42)-c2ccccc2-c13.
What is the InChIKey of 13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?
The InChIKey is RTQQCRRPYSNANT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14/c1-13-10-11-18-15-7-3-2-6-14(15)12-19-16-8-4-5-9-17(16)20(13)21(18)19/h2-12H,1H3.
What are the key properties of 13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene?
13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene has a molecular weight of 266.34 g/mol, XLogP of 5.95, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 13-methylpentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8(20),9,11,13,15,17-decaene is sourced from PubChem (CID 13440491), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).