nonacyclo[16.4.1.14,7.113,16.02,10.03,8.011,21.012,20.021,23]pentacos-5-ene

C25H32 — CID 123486250

IUPACnonacyclo[16.4.1.14,7.113,16.02,10.03,8.011,21.012,20.021,23]pentacos-5-ene
SMILESC1=CC2CC1C1CC3C(C4CC56C7CC(CC8CCC(C8)C7C35)C46)C21
InChIInChI=1S/C25H32/c1-2-13-5-11(1)6-15-8-19-21(13)24-17-9-16-12-3-4-14(7-12)20(16)22(17)18-10-25(19,24)23(15)18/h3-4,11-24H,1-2,5-10H2
InChIKeyRPLISGDJNDNJHW-UHFFFAOYSA-N
MW332.53 g/mol
LogP5.40
Rot. Bonds

About nonacyclo[16.4.1.14,7.113,16.02,10.03,8.011,21.012,20.021,23]pentacos-5-ene

nonacyclo[16.4.1.14,7.113,16.02,10.03,8.011,21.012,20.021,23]pentacos-5-ene (PubChem CID 123486250) has the molecular formula C25H32 and a molecular weight of 332.53 g/mol. Its IUPAC name is nonacyclo[16.4.1.14,7.113,16.02,10.03,8.011,21.012,20.021,23]pentacos-5-ene.

Molecular Properties

Compound Namenonacyclo[16.4.1.14,7.113,16.02,10.03,8.011,21.012,20.021,23]pentacos-5-ene
PubChem CID123486250
Molecular FormulaC25H32
Molecular Weight332.53 g/mol
Exact Mass332.25
IUPAC Namenonacyclo[16.4.1.14,7.113,16.02,10.03,8.011,21.012,20.021,23]pentacos-5-ene
SMILESC1=CC2CC1C1CC3C(C4CC56C7CC(CC8CCC(C8)C7C35)C46)C21
InChIInChI=1S/C25H32/c1-2-13-5-11(1)6-15-8-19-21(13)24-17-9-16-12-3-4-14(7-12)20(16)22(17)18-10-25(19,24)23(15)18/h3-4,11-24H,1-2,5-10H2
InChIKeyRPLISGDJNDNJHW-UHFFFAOYSA-N
XLogP5.40
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.53
LogP ≤ 55.40
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 nonacyclo[16.4.1.14,7.113,16.02,10.03,8.011,21.012,20.021,23]pentacos-5-ene?
The IUPAC name of nonacyclo[16.4.1.14,7.113,16.02,10.03,8.011,21.012,20.021,23]pentacos-5-ene (CID 123486250) is nonacyclo[16.4.1.14,7.113,16.02,10.03,8.011,21.012,20.021,23]pentacos-5-ene.
What is the SMILES notation for nonacyclo[16.4.1.14,7.113,16.02,10.03,8.011,21.012,20.021,23]pentacos-5-ene?
The canonical SMILES for nonacyclo[16.4.1.14,7.113,16.02,10.03,8.011,21.012,20.021,23]pentacos-5-ene is C1=CC2CC1C1CC3C(C4CC56C7CC(CC8CCC(C8)C7C35)C46)C21.
What is the InChIKey of nonacyclo[16.4.1.14,7.113,16.02,10.03,8.011,21.012,20.021,23]pentacos-5-ene?
The InChIKey is RPLISGDJNDNJHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32/c1-2-13-5-11(1)6-15-8-19-21(13)24-17-9-16-12-3-4-14(7-12)20(16)22(17)18-10-25(19,24)23(15)18/h3-4,11-24H,1-2,5-10H2.
What are the key properties of nonacyclo[16.4.1.14,7.113,16.02,10.03,8.011,21.012,20.021,23]pentacos-5-ene?
nonacyclo[16.4.1.14,7.113,16.02,10.03,8.011,21.012,20.021,23]pentacos-5-ene has a molecular weight of 332.53 g/mol, XLogP of 5.40, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for nonacyclo[16.4.1.14,7.113,16.02,10.03,8.011,21.012,20.021,23]pentacos-5-ene is sourced from PubChem (CID 123486250), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).