4,4,7-trimethylundec-1-ene

C14H28 — CID 143332601

IUPAC4,4,7-trimethylundec-1-ene
SMILESC=CCC(C)(C)CCC(C)CCCC
InChIInChI=1S/C14H28/c1-6-8-9-13(3)10-12-14(4,5)11-7-2/h7,13H,2,6,8-12H2,1,3-5H3
InChIKeyMCGIJZILBZIBFP-UHFFFAOYSA-N
MW196.38 g/mol
LogP5.20
Rot. Bonds8

About 4,4,7-trimethylundec-1-ene

4,4,7-trimethylundec-1-ene (PubChem CID 143332601) has the molecular formula C14H28 and a molecular weight of 196.38 g/mol. Its IUPAC name is 4,4,7-trimethylundec-1-ene.

Molecular Properties

Compound Name4,4,7-trimethylundec-1-ene
PubChem CID143332601
Molecular FormulaC14H28
Molecular Weight196.38 g/mol
Exact Mass196.22
IUPAC Name4,4,7-trimethylundec-1-ene
SMILESC=CCC(C)(C)CCC(C)CCCC
InChIInChI=1S/C14H28/c1-6-8-9-13(3)10-12-14(4,5)11-7-2/h7,13H,2,6,8-12H2,1,3-5H3
InChIKeyMCGIJZILBZIBFP-UHFFFAOYSA-N
XLogP5.20
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500196.38
LogP ≤ 55.20
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

5,5-dimethylnonane;5-methylnonane
CID 158755954
4,4,7-trimethyldodecane
CID 91411996
azane;4,4-dimethylhenicos-1-ene;hydrochloride
CID 174854097
7-methylundec-1-ene
CID 522554
4,7,7,10-tetramethyltridecane
CID 123261465
2,2,7-trimethylundecane
CID 57491501
2,2,5-trimethyldodecane
CID 54169953
3,5,8,8-tetramethyldodecane
CID 123736669
calcium;hydride;3-methylheptane
CID 174879723
(3R,6S)-3,6-dimethyldecane
CID 170848353
8-methylnonadec-1-ene
CID 90877384
5-methylheptadec-1-ene
CID 172780073

Frequently Asked Questions

What is the IUPAC name of 4,4,7-trimethylundec-1-ene?
The IUPAC name of 4,4,7-trimethylundec-1-ene (CID 143332601) is 4,4,7-trimethylundec-1-ene.
What is the SMILES notation for 4,4,7-trimethylundec-1-ene?
The canonical SMILES for 4,4,7-trimethylundec-1-ene is C=CCC(C)(C)CCC(C)CCCC.
What is the InChIKey of 4,4,7-trimethylundec-1-ene?
The InChIKey is MCGIJZILBZIBFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28/c1-6-8-9-13(3)10-12-14(4,5)11-7-2/h7,13H,2,6,8-12H2,1,3-5H3.
What are the key properties of 4,4,7-trimethylundec-1-ene?
4,4,7-trimethylundec-1-ene has a molecular weight of 196.38 g/mol, XLogP of 5.20, 8 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,7-trimethylundec-1-ene is sourced from PubChem (CID 143332601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).