dodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

C20H42O2 — CID 173398579

IUPACdodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(C)(C)OC(C)(C)C.CC=CC(O)CCCCCCCC
InChIInChI=1S/C12H24O.C8H18O/c1-3-5-6-7-8-9-11-12(13)10-4-2;1-7(2,3)9-8(4,5)6/h4,10,12-13H,3,5-9,11H2,1-2H3;1-6H3
InChIKeyMVPANTMZZBQCLE-UHFFFAOYSA-N
MW314.55 g/mol
LogP6.27
Rot. Bonds8

About dodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane

dodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (PubChem CID 173398579) has the molecular formula C20H42O2 and a molecular weight of 314.55 g/mol. Its IUPAC name is dodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.

Molecular Properties

Compound Namedodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
PubChem CID173398579
Molecular FormulaC20H42O2
Molecular Weight314.55 g/mol
Exact Mass314.32
IUPAC Namedodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane
SMILESCC(C)(C)OC(C)(C)C.CC=CC(O)CCCCCCCC
InChIInChI=1S/C12H24O.C8H18O/c1-3-5-6-7-8-9-11-12(13)10-4-2;1-7(2,3)9-8(4,5)6/h4,10,12-13H,3,5-9,11H2,1-2H3;1-6H3
InChIKeyMVPANTMZZBQCLE-UHFFFAOYSA-N
XLogP6.27
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500314.55
LogP ≤ 56.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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

(Z)-undec-2-en-4-ol
CID 14320443
2-methyl-2-[(2-methylpropan-2-yl)oxy]propane;undecane
CID 174934900
octadec-3-en-5-ol
CID 144649733
(E,4S)-1,1-dimethoxyundec-2-en-4-ol
CID 10585572
henicos-7-en-6-ol
CID 91409967
(E,3S)-1-iodooct-1-en-3-ol
CID 10988815
(E)-1-chlorooct-1-en-3-ol
CID 14723484
(3S)-1-iodooct-1-en-3-ol
CID 54007858
(3R)-1-iodooct-1-en-3-ol
CID 54007857
4-hydroxynonadec-2-enal
CID 3025773
4-hydroxyoctadec-2-enal
CID 3025772
icosa-7,15-diene-6,9-diol
CID 57175111

Frequently Asked Questions

What is the IUPAC name of dodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The IUPAC name of dodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane (CID 173398579) is dodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane.
What is the SMILES notation for dodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The canonical SMILES for dodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is CC(C)(C)OC(C)(C)C.CC=CC(O)CCCCCCCC.
What is the InChIKey of dodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
The InChIKey is MVPANTMZZBQCLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O.C8H18O/c1-3-5-6-7-8-9-11-12(13)10-4-2;1-7(2,3)9-8(4,5)6/h4,10,12-13H,3,5-9,11H2,1-2H3;1-6H3.
What are the key properties of dodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane?
dodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane has a molecular weight of 314.55 g/mol, XLogP of 6.27, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for dodec-2-en-4-ol;2-methyl-2-[(2-methylpropan-2-yl)oxy]propane is sourced from PubChem (CID 173398579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).