(Z)-21-methylpentatriacont-8-ene

C36H72 — CID 56936079

IUPAC(Z)-21-methylpentatriacont-8-ene
SMILESCCCCCCC/C=C\CCCCCCCCCCCC(C)CCCCCCCCCCCCCC
InChIInChI=1S/C36H72/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-36(3)34-32-30-28-26-24-17-15-13-11-9-7-5-2/h16,18,36H,4-15,17,19-35H2,1-3H3/b18-16-
InChIKeyPXCAACLCRICOBP-VLGSPTGOSA-N
MW504.97 g/mol
LogP13.92
Rot. Bonds31

About (Z)-21-methylpentatriacont-8-ene

(Z)-21-methylpentatriacont-8-ene (PubChem CID 56936079) has the molecular formula C36H72 and a molecular weight of 504.97 g/mol. Its IUPAC name is (Z)-21-methylpentatriacont-8-ene.

Molecular Properties

Compound Name(Z)-21-methylpentatriacont-8-ene
PubChem CID56936079
Molecular FormulaC36H72
Molecular Weight504.97 g/mol
Exact Mass504.56
IUPAC Name(Z)-21-methylpentatriacont-8-ene
SMILESCCCCCCC/C=C\CCCCCCCCCCCC(C)CCCCCCCCCCCCCC
InChIInChI=1S/C36H72/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-36(3)34-32-30-28-26-24-17-15-13-11-9-7-5-2/h16,18,36H,4-15,17,19-35H2,1-3H3/b18-16-
InChIKeyPXCAACLCRICOBP-VLGSPTGOSA-N
XLogP13.92
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds31
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500504.97
LogP ≤ 513.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (Z)-21-methylpentatriacont-8-ene?
The IUPAC name of (Z)-21-methylpentatriacont-8-ene (CID 56936079) is (Z)-21-methylpentatriacont-8-ene.
What is the SMILES notation for (Z)-21-methylpentatriacont-8-ene?
The canonical SMILES for (Z)-21-methylpentatriacont-8-ene is CCCCCCC/C=C\CCCCCCCCCCCC(C)CCCCCCCCCCCCCC.
What is the InChIKey of (Z)-21-methylpentatriacont-8-ene?
The InChIKey is PXCAACLCRICOBP-VLGSPTGOSA-N. The full InChI is InChI=1S/C36H72/c1-4-6-8-10-12-14-16-18-19-20-21-22-23-25-27-29-31-33-35-36(3)34-32-30-28-26-24-17-15-13-11-9-7-5-2/h16,18,36H,4-15,17,19-35H2,1-3H3/b18-16-.
What are the key properties of (Z)-21-methylpentatriacont-8-ene?
(Z)-21-methylpentatriacont-8-ene has a molecular weight of 504.97 g/mol, XLogP of 13.92, 31 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (Z)-21-methylpentatriacont-8-ene is sourced from PubChem (CID 56936079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).