2,4,6,8,10-pentamethyltridec-1-ene

C18H36 — CID 86260842

IUPAC2,4,6,8,10-pentamethyltridec-1-ene
SMILESC=C(C)CC(C)CC(C)CC(C)CC(C)CCC
InChIInChI=1S/C18H36/c1-8-9-15(4)11-17(6)13-18(7)12-16(5)10-14(2)3/h15-18H,2,8-13H2,1,3-7H3
InChIKeyZTCIQBPVONMRJS-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.47
Rot. Bonds10

About 2,4,6,8,10-pentamethyltridec-1-ene

2,4,6,8,10-pentamethyltridec-1-ene (PubChem CID 86260842) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 2,4,6,8,10-pentamethyltridec-1-ene.

Molecular Properties

Compound Name2,4,6,8,10-pentamethyltridec-1-ene
PubChem CID86260842
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name2,4,6,8,10-pentamethyltridec-1-ene
SMILESC=C(C)CC(C)CC(C)CC(C)CC(C)CCC
InChIInChI=1S/C18H36/c1-8-9-15(4)11-17(6)13-18(7)12-16(5)10-14(2)3/h15-18H,2,8-13H2,1,3-7H3
InChIKeyZTCIQBPVONMRJS-UHFFFAOYSA-N
XLogP6.47
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds10
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.47
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 2,4,6,8,10-pentamethyltridec-1-ene?
The IUPAC name of 2,4,6,8,10-pentamethyltridec-1-ene (CID 86260842) is 2,4,6,8,10-pentamethyltridec-1-ene.
What is the SMILES notation for 2,4,6,8,10-pentamethyltridec-1-ene?
The canonical SMILES for 2,4,6,8,10-pentamethyltridec-1-ene is C=C(C)CC(C)CC(C)CC(C)CC(C)CCC.
What is the InChIKey of 2,4,6,8,10-pentamethyltridec-1-ene?
The InChIKey is ZTCIQBPVONMRJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-8-9-15(4)11-17(6)13-18(7)12-16(5)10-14(2)3/h15-18H,2,8-13H2,1,3-7H3.
What are the key properties of 2,4,6,8,10-pentamethyltridec-1-ene?
2,4,6,8,10-pentamethyltridec-1-ene has a molecular weight of 252.49 g/mol, XLogP of 6.47, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6,8,10-pentamethyltridec-1-ene is sourced from PubChem (CID 86260842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).