2,5,9-trimethyl-8-propyldodec-5-ene

C18H36 — CID 123394193

IUPAC2,5,9-trimethyl-8-propyldodec-5-ene
SMILESCCCC(C)C(CC=C(C)CCC(C)C)CCC
InChIInChI=1S/C18H36/c1-7-9-17(6)18(10-8-2)14-13-16(5)12-11-15(3)4/h13,15,17-18H,7-12,14H2,1-6H3
InChIKeyCPMYCHVAAWTVLF-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.61
Rot. Bonds10

About 2,5,9-trimethyl-8-propyldodec-5-ene

2,5,9-trimethyl-8-propyldodec-5-ene (PubChem CID 123394193) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 2,5,9-trimethyl-8-propyldodec-5-ene.

Molecular Properties

Compound Name2,5,9-trimethyl-8-propyldodec-5-ene
PubChem CID123394193
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name2,5,9-trimethyl-8-propyldodec-5-ene
SMILESCCCC(C)C(CC=C(C)CCC(C)C)CCC
InChIInChI=1S/C18H36/c1-7-9-17(6)18(10-8-2)14-13-16(5)12-11-15(3)4/h13,15,17-18H,7-12,14H2,1-6H3
InChIKeyCPMYCHVAAWTVLF-UHFFFAOYSA-N
XLogP6.61
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 ≤ 56.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

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

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Related Compounds

(4E,8E,12E)-5,9,13,16-tetramethylheptadeca-4,8,12-triene
CID 23553717
(E)-2,5-dimethyloct-4-ene
CID 173056267
3,6,7-trimethyldec-3-ene
CID 123818084
(E)-4,8-dimethylnon-3-ene
CID 22743489
(E)-2,5,9-trimethylundec-4-ene
CID 157140245
2,5-dimethyl-4-propyloctane
CID 57491236
(6E,10E,14E)-2,6,10,15,18-pentamethylnonadeca-2,6,10,14-tetraene
CID 58369783
6-ethyl-2,5-dimethylnonane
CID 54499682
2,8-dimethyl-5-(3-methylbutyl)non-4-ene
CID 19035560
2,3,6-trimethylundec-5-ene
CID 123502967
(Z)-4,7-dimethylnon-4-ene
CID 143531390
4,9-dimethyldec-3-ene
CID 91170380

Frequently Asked Questions

What is the IUPAC name of 2,5,9-trimethyl-8-propyldodec-5-ene?
The IUPAC name of 2,5,9-trimethyl-8-propyldodec-5-ene (CID 123394193) is 2,5,9-trimethyl-8-propyldodec-5-ene.
What is the SMILES notation for 2,5,9-trimethyl-8-propyldodec-5-ene?
The canonical SMILES for 2,5,9-trimethyl-8-propyldodec-5-ene is CCCC(C)C(CC=C(C)CCC(C)C)CCC.
What is the InChIKey of 2,5,9-trimethyl-8-propyldodec-5-ene?
The InChIKey is CPMYCHVAAWTVLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-7-9-17(6)18(10-8-2)14-13-16(5)12-11-15(3)4/h13,15,17-18H,7-12,14H2,1-6H3.
What are the key properties of 2,5,9-trimethyl-8-propyldodec-5-ene?
2,5,9-trimethyl-8-propyldodec-5-ene has a molecular weight of 252.49 g/mol, XLogP of 6.61, 10 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5,9-trimethyl-8-propyldodec-5-ene is sourced from PubChem (CID 123394193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).