pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene

C15H20 — CID 14458344

IUPACpentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene
SMILESC1=CC2CC1C1C3CC(C4CCCC43)C21
InChIInChI=1S/C15H20/c1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14/h4-5,8-15H,1-3,6-7H2
InChIKeyVGXOXHRUFVBLBN-UHFFFAOYSA-N
MW200.32 g/mol
LogP3.49
Rot. Bonds

About pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene

pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene (PubChem CID 14458344) has the molecular formula C15H20 and a molecular weight of 200.32 g/mol. Its IUPAC name is pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene.

Molecular Properties

Compound Namepentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene
PubChem CID14458344
Molecular FormulaC15H20
Molecular Weight200.32 g/mol
Exact Mass200.16
IUPAC Namepentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene
SMILESC1=CC2CC1C1C3CC(C4CCCC43)C21
InChIInChI=1S/C15H20/c1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14/h4-5,8-15H,1-3,6-7H2
InChIKeyVGXOXHRUFVBLBN-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': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

heptacyclo[13.2.2.13,13.16,9.02,14.04,12.05,10]henicos-7-ene
CID 154522326
3-ethylhexacyclo[10.6.1.15,8.02,11.04,9.013,18]icos-6-ene
CID 54136911
9-cyclooctyltetracyclo[6.2.1.13,6.02,7]dodec-4-ene
CID 172816215
tetracyclo[7.2.1.04,11.06,10]dodeca-2,7-diene
CID 521932
(1S,3R,6S)-pentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,10-diene
CID 169451262
3-ethenyltricyclo[6.2.1.02,7]undec-9-ene
CID 154525054
(1S,2R,6S,7R,8R,9R,10S,11S)-9,10-dimethyltetracyclo[5.4.1.02,6.08,11]dodecane
CID 102370300
hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadec-11-ene-4,5-diol
CID 139797029
hexacyclo[10.2.1.15,8.02,11.03,10.04,9]hexadeca-6,13-diene
CID 100957910
heptacyclo[17.2.1.15,8.112,15.02,18.04,9.011,16]tetracosa-6,13,20-triene
CID 22949633
acetaldehyde;[deuterio(tritio)methyl]phosphane;pentacyclo[6.5.1.13,6.02,7.09,13]pentadeca-4,10-diene;pentacyclo[6.5.1.13,6.02,7.09,13]pentadecane
CID 158792160
pentacyclo[10.8.0.02,11.06,17.07,16]icosane
CID 101138772

Frequently Asked Questions

What is the IUPAC name of pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene?
The IUPAC name of pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene (CID 14458344) is pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene.
What is the SMILES notation for pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene?
The canonical SMILES for pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene is C1=CC2CC1C1C3CC(C4CCCC43)C21.
What is the InChIKey of pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene?
The InChIKey is VGXOXHRUFVBLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20/c1-2-10-11(3-1)13-7-12(10)14-8-4-5-9(6-8)15(13)14/h4-5,8-15H,1-3,6-7H2.
What are the key properties of pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-ene?
pentacyclo[6.5.1.13,6.02,7.09,13]pentadec-4-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[6.5.1.13,6.02,7.09,13]pentadec-4-ene is sourced from PubChem (CID 14458344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).