pentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene

C15H20 — CID 141044918

IUPACpentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene
SMILESC1=CC2CC1CCC1C3CC2C2CC3C21
InChIInChI=1S/C15H20/c1-3-9-5-8(1)2-4-10-12-6-11(9)13-7-14(12)15(10)13/h1,3,8-15H,2,4-7H2
InChIKeyXKYMBPGLHVBXDZ-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.49
Rot. Bonds

About pentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene

pentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene (PubChem CID 141044918) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is pentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene.

Molecular Properties

Compound Namepentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene
PubChem CID141044918
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Namepentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene
SMILESC1=CC2CC1CCC1C3CC2C2CC3C21
InChIInChI=1S/C15H20/c1-3-9-5-8(1)2-4-10-12-6-11(9)13-7-14(12)15(10)13/h1,3,8-15H,2,4-7H2
InChIKeyXKYMBPGLHVBXDZ-UHFFFAOYSA-N
XLogP3.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.32
LogP ≤ 53.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

Analyze pentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene with MolForge

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

Launch Full Analysis

Related Compounds

heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene
CID 23448609
(1R,4S)-bicyclo[2.2.1]hept-2-ene
CID 638051
5-(2-bicyclo[2.2.1]hept-5-enylmethyl)bicyclo[2.2.1]hept-2-ene;nonacyclo[12.6.1.14,11.16,9.116,19.02,13.03,12.05,10.015,20]tetracosa-7,17-diene;pentacyclo[10.2.1.15,8.02,11.04,9]hexadeca-6,13-diene;pentacyclo[12.2.1.16,9.02,13.05,10]octadeca-7,15-diene;pentacyclo[8.2.1.14,7.02,9.03,8]tetradeca-5,11-diene
CID 160782512
octacyclo[10.8.0.02,11.03,10.04,9.05,8.014,19.015,18]icosane
CID 54326568
(1R,2S,4R)-bicyclo[2.2.2]oct-5-en-2-ol
CID 12622748
pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene
CID 14458344
heptacyclo[13.2.2.13,13.16,9.02,14.04,12.05,10]henicos-7-ene
CID 154522326
(2R,3R,6S,7S,9R,10R,13S,14S)-hexacyclo[6.6.2.23,6.210,13.02,7.09,14]icosa-4,11-diene
CID 15351281
bicyclo[2.2.1]hept-2-ene;carbanide;2-methylpropane;tungsten(2+)
CID 158415038
pentacyclo[7.4.1.02,8.03,6.010,13]tetradecane
CID 90749400
bicyclo[2.2.2]oct-2-ene
CID 13608

Frequently Asked Questions

What is the IUPAC name of pentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene?
The IUPAC name of pentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene (CID 141044918) is pentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene.
What is the SMILES notation for pentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene?
The canonical SMILES for pentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene is C1=CC2CC1CCC1C3CC2C2CC3C21.
What is the InChIKey of pentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene?
The InChIKey is XKYMBPGLHVBXDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-3-9-5-8(1)2-4-10-12-6-11(9)13-7-14(12)15(10)13/h1,3,8-15H,2,4-7H2.
What are the key properties of pentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene?
pentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene has a molecular weight of 200.32 g/mol, XLogP of 3.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[10.2.1.02,7.04,9.05,8]pentadec-13-ene is sourced from PubChem (CID 141044918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).