11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene

C19H38O — CID 89355516

IUPAC11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene
SMILESC=CCCCCCCCCC(C)(C)OCC[C@@H](C)CC
InChIInChI=1S/C19H38O/c1-6-8-9-10-11-12-13-14-16-19(4,5)20-17-15-18(3)7-2/h6,18H,1,7-17H2,2-5H3/t18-/m0/s1
InChIKeyDOLSAGPDRABGQE-SFHVURJKSA-N
MW282.51 g/mol
LogP6.52
Rot. Bonds14

About 11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene

11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene (PubChem CID 89355516) has the molecular formula C19H38O and a molecular weight of 282.51 g/mol. Its IUPAC name is 11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene.

Molecular Properties

Compound Name11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene
PubChem CID89355516
Molecular FormulaC19H38O
Molecular Weight282.51 g/mol
Exact Mass282.29
IUPAC Name11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene
SMILESC=CCCCCCCCCC(C)(C)OCC[C@@H](C)CC
InChIInChI=1S/C19H38O/c1-6-8-9-10-11-12-13-14-16-19(4,5)20-17-15-18(3)7-2/h6,18H,1,7-17H2,2-5H3/t18-/m0/s1
InChIKeyDOLSAGPDRABGQE-SFHVURJKSA-N
XLogP6.52
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.51
LogP ≤ 56.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1-Octene, 7-ethoxy-3,7-dimethyl-
CID 86128
(7R,8S)-cis-7,8-epoxy-2-methyloctadec-17-ene
CID 56936246
cis-7,8-Epoxy-2-methyloctadec-17-ene
CID 76463834
10-Ethoxy-1,5,10-trimethylcyclododecadiene
CID 44148878
Thromboxene
CID 57129285
2,6,14-Trimethyl-6,7-epoxy-10-methylene-9-(3-methylpent-4-enyl)-pentadec-2-ene
CID 42608270
2,6,14-Trimethyl-6,7-epoxy-10-methylene-9-(3-methylpent-4-enyl)-pentadecane
CID 42608271
(5R)-5-fluoro-7-methyl-8-[(2-methylpropan-2-yl)oxy]oct-1-ene
CID 131997498
10-(3-Fluoropropoxy)-3,6,7-trimethylundec-1-ene
CID 144978930
(E,6S,10R,15R,19R,23R)-27-methoxy-2,6,10,15,19,23,27-heptamethyloctacos-8-ene
CID 163201250
(6R,8E,10R,12E,14S,16E,19R,20E,23S,27S)-2-methoxy-2,6,10,14,19,23,27,31-octamethyldotriaconta-8,12,16,20-tetraene
CID 163201263
[1-(Hexyloxy)but-3-EN-1-YL]cyclohexane
CID 15174029

Frequently Asked Questions

What is the IUPAC name of 11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene?
The IUPAC name of 11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene (CID 89355516) is 11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene.
What is the SMILES notation for 11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene?
The canonical SMILES for 11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene is C=CCCCCCCCCC(C)(C)OCC[C@@H](C)CC.
What is the InChIKey of 11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene?
The InChIKey is DOLSAGPDRABGQE-SFHVURJKSA-N. The full InChI is InChI=1S/C19H38O/c1-6-8-9-10-11-12-13-14-16-19(4,5)20-17-15-18(3)7-2/h6,18H,1,7-17H2,2-5H3/t18-/m0/s1.
What are the key properties of 11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene?
11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene has a molecular weight of 282.51 g/mol, XLogP of 6.52, 14 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 11-methyl-11-[(3S)-3-methylpentoxy]dodec-1-ene is sourced from PubChem (CID 89355516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).