8-methyl-5,6-dipropylundec-5-ene

C18H36 — CID 54405504

IUPAC8-methyl-5,6-dipropylundec-5-ene
SMILESCCCCC(CCC)=C(CCC)CC(C)CCC
InChIInChI=1S/C18H36/c1-6-10-14-17(12-8-3)18(13-9-4)15-16(5)11-7-2/h16H,6-15H2,1-5H3
InChIKeyVQKDUGJYQGOHAT-UHFFFAOYSA-N
MW252.49 g/mol
LogP6.90
Rot. Bonds11

About 8-methyl-5,6-dipropylundec-5-ene

8-methyl-5,6-dipropylundec-5-ene (PubChem CID 54405504) has the molecular formula C18H36 and a molecular weight of 252.49 g/mol. Its IUPAC name is 8-methyl-5,6-dipropylundec-5-ene.

Molecular Properties

Compound Name8-methyl-5,6-dipropylundec-5-ene
PubChem CID54405504
Molecular FormulaC18H36
Molecular Weight252.49 g/mol
Exact Mass252.28
IUPAC Name8-methyl-5,6-dipropylundec-5-ene
SMILESCCCCC(CCC)=C(CCC)CC(C)CCC
InChIInChI=1S/C18H36/c1-6-10-14-17(12-8-3)18(13-9-4)15-16(5)11-7-2/h16H,6-15H2,1-5H3
InChIKeyVQKDUGJYQGOHAT-UHFFFAOYSA-N
XLogP6.90
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds11
Heavy Atoms18
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500252.49
LogP ≤ 56.90
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 8-methyl-5,6-dipropylundec-5-ene?
The IUPAC name of 8-methyl-5,6-dipropylundec-5-ene (CID 54405504) is 8-methyl-5,6-dipropylundec-5-ene.
What is the SMILES notation for 8-methyl-5,6-dipropylundec-5-ene?
The canonical SMILES for 8-methyl-5,6-dipropylundec-5-ene is CCCCC(CCC)=C(CCC)CC(C)CCC.
What is the InChIKey of 8-methyl-5,6-dipropylundec-5-ene?
The InChIKey is VQKDUGJYQGOHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H36/c1-6-10-14-17(12-8-3)18(13-9-4)15-16(5)11-7-2/h16H,6-15H2,1-5H3.
What are the key properties of 8-methyl-5,6-dipropylundec-5-ene?
8-methyl-5,6-dipropylundec-5-ene has a molecular weight of 252.49 g/mol, XLogP of 6.90, 11 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-5,6-dipropylundec-5-ene is sourced from PubChem (CID 54405504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).