2,4,7,8,9-pentamethylundec-1-ene

C16H32 — CID 90965506

IUPAC2,4,7,8,9-pentamethylundec-1-ene
SMILESC=C(C)CC(C)CCC(C)C(C)C(C)CC
InChIInChI=1S/C16H32/c1-8-14(5)16(7)15(6)10-9-13(4)11-12(2)3/h13-16H,2,8-11H2,1,3-7H3
InChIKeyQXLHDRGWDUTEBZ-UHFFFAOYSA-N
MW224.43 g/mol
LogP5.69
Rot. Bonds8

About 2,4,7,8,9-pentamethylundec-1-ene

2,4,7,8,9-pentamethylundec-1-ene (PubChem CID 90965506) has the molecular formula C16H32 and a molecular weight of 224.43 g/mol. Its IUPAC name is 2,4,7,8,9-pentamethylundec-1-ene.

Molecular Properties

Compound Name2,4,7,8,9-pentamethylundec-1-ene
PubChem CID90965506
Molecular FormulaC16H32
Molecular Weight224.43 g/mol
Exact Mass224.25
IUPAC Name2,4,7,8,9-pentamethylundec-1-ene
SMILESC=C(C)CC(C)CCC(C)C(C)C(C)CC
InChIInChI=1S/C16H32/c1-8-14(5)16(7)15(6)10-9-13(4)11-12(2)3/h13-16H,2,8-11H2,1,3-7H3
InChIKeyQXLHDRGWDUTEBZ-UHFFFAOYSA-N
XLogP5.69
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500224.43
LogP ≤ 55.69
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

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CID 90728218
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3,4-diethyl-6,7,8,11-tetramethyltridecane
CID 123415762
2,3,6,7,10-pentamethyldodec-1-ene;propane
CID 145235190
3,6,7,8-tetramethyltridecane
CID 123428805
4,7-dimethylnonan-2-one
CID 87291820
3,6,7,10-tetramethyldodecanoic acid
CID 142282769
ethane;3,6,7,10-tetramethyldodecane
CID 143901344
3-methylhexane;2-methylprop-1-ene
CID 165405684
(2S)-2,4-dimethylpent-4-ene-1-thiol
CID 89110247
2,5,6,10,11,12-hexamethyl-7-(2-methylprop-2-enyl)hexadeca-1,3-diene
CID 123243891

Frequently Asked Questions

What is the IUPAC name of 2,4,7,8,9-pentamethylundec-1-ene?
The IUPAC name of 2,4,7,8,9-pentamethylundec-1-ene (CID 90965506) is 2,4,7,8,9-pentamethylundec-1-ene.
What is the SMILES notation for 2,4,7,8,9-pentamethylundec-1-ene?
The canonical SMILES for 2,4,7,8,9-pentamethylundec-1-ene is C=C(C)CC(C)CCC(C)C(C)C(C)CC.
What is the InChIKey of 2,4,7,8,9-pentamethylundec-1-ene?
The InChIKey is QXLHDRGWDUTEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32/c1-8-14(5)16(7)15(6)10-9-13(4)11-12(2)3/h13-16H,2,8-11H2,1,3-7H3.
What are the key properties of 2,4,7,8,9-pentamethylundec-1-ene?
2,4,7,8,9-pentamethylundec-1-ene has a molecular weight of 224.43 g/mol, XLogP of 5.69, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,7,8,9-pentamethylundec-1-ene is sourced from PubChem (CID 90965506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).