pentacyclo[10.2.1.02,8.02,11.04,9]pentadec-5-ene

C15H20 — CID 154628499

IUPACpentacyclo[10.2.1.02,8.02,11.04,9]pentadec-5-ene
SMILESC1=CC2CC34C5CCC(C5)C3CC2C4C1
InChIInChI=1S/C15H20/c1-2-10-8-15-11-5-4-9(6-11)14(15)7-12(10)13(15)3-1/h1-2,9-14H,3-8H2
InChIKeyQIYQKFRHMPZKLV-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.63
Rot. Bonds

About pentacyclo[10.2.1.02,8.02,11.04,9]pentadec-5-ene

pentacyclo[10.2.1.02,8.02,11.04,9]pentadec-5-ene (PubChem CID 154628499) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is pentacyclo[10.2.1.02,8.02,11.04,9]pentadec-5-ene.

Molecular Properties

Compound Namepentacyclo[10.2.1.02,8.02,11.04,9]pentadec-5-ene
PubChem CID154628499
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Namepentacyclo[10.2.1.02,8.02,11.04,9]pentadec-5-ene
SMILESC1=CC2CC34C5CCC(C5)C3CC2C4C1
InChIInChI=1S/C15H20/c1-2-10-8-15-11-5-4-9(6-11)14(15)7-12(10)13(15)3-1/h1-2,9-14H,3-8H2
InChIKeyQIYQKFRHMPZKLV-UHFFFAOYSA-N
XLogP3.63
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 ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of pentacyclo[10.2.1.02,8.02,11.04,9]pentadec-5-ene?
The IUPAC name of pentacyclo[10.2.1.02,8.02,11.04,9]pentadec-5-ene (CID 154628499) is pentacyclo[10.2.1.02,8.02,11.04,9]pentadec-5-ene.
What is the SMILES notation for pentacyclo[10.2.1.02,8.02,11.04,9]pentadec-5-ene?
The canonical SMILES for pentacyclo[10.2.1.02,8.02,11.04,9]pentadec-5-ene is C1=CC2CC34C5CCC(C5)C3CC2C4C1.
What is the InChIKey of pentacyclo[10.2.1.02,8.02,11.04,9]pentadec-5-ene?
The InChIKey is QIYQKFRHMPZKLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-2-10-8-15-11-5-4-9(6-11)14(15)7-12(10)13(15)3-1/h1-2,9-14H,3-8H2.
What are the key properties of pentacyclo[10.2.1.02,8.02,11.04,9]pentadec-5-ene?
pentacyclo[10.2.1.02,8.02,11.04,9]pentadec-5-ene has a molecular weight of 200.32 g/mol, XLogP of 3.63, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for pentacyclo[10.2.1.02,8.02,11.04,9]pentadec-5-ene is sourced from PubChem (CID 154628499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).