2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane

C24H46O4 — CID 70507744

IUPAC2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane
SMILESC1CCC(OC2CCCCO2)OC1.CCCCCCCCC=CC(C)(C)CO
InChIInChI=1S/C14H28O.C10H18O3/c1-4-5-6-7-8-9-10-11-12-14(2,3)13-15;1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h11-12,15H,4-10,13H2,1-3H3;9-10H,1-8H2
InChIKeyXYVWDIAHAGGWPX-UHFFFAOYSA-N
MW398.63 g/mol
LogP6.37
Rot. Bonds11

About 2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane

2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane (PubChem CID 70507744) has the molecular formula C24H46O4 and a molecular weight of 398.63 g/mol. Its IUPAC name is 2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane.

Molecular Properties

Compound Name2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane
PubChem CID70507744
Molecular FormulaC24H46O4
Molecular Weight398.63 g/mol
Exact Mass398.34
IUPAC Name2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane
SMILESC1CCC(OC2CCCCO2)OC1.CCCCCCCCC=CC(C)(C)CO
InChIInChI=1S/C14H28O.C10H18O3/c1-4-5-6-7-8-9-10-11-12-14(2,3)13-15;1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h11-12,15H,4-10,13H2,1-3H3;9-10H,1-8H2
InChIKeyXYVWDIAHAGGWPX-UHFFFAOYSA-N
XLogP6.37
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500398.63
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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)-heptadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
CID 86737423
hexadec-11-en-1-ol;2-(oxan-2-yloxy)oxane
CID 70568383
(2R)-2-[(E)-dodec-5-enoxy]oxane
CID 125486255
2-[(6Z,12Z)-octadeca-6,12-dienoxy]oxane
CID 163386037
2-[(E)-dec-3-enoxy]oxane
CID 15649194
2-(1-iodonon-2-en-2-yloxy)oxane
CID 57013558
2-[(E)-hept-2-enoxy]oxane
CID 12861157
2-octacosoxyoxane
CID 11214102
2-[(Z)-pentadec-6-en-3-ynoxy]oxane
CID 10018056
(2S)-2-[(5Z,9Z)-trideca-5,9-dienoxy]oxane
CID 125486039
(5Z,14Z)-19-(oxan-2-yloxy)nonadeca-5,14-dien-1-ol
CID 153316547
2-[4-[(2S,3S)-3-[(Z)-tetradec-1-enyl]oxiran-2-yl]butoxy]oxane
CID 88665094

Frequently Asked Questions

What is the IUPAC name of 2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane?
The IUPAC name of 2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane (CID 70507744) is 2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane.
What is the SMILES notation for 2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane?
The canonical SMILES for 2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane is C1CCC(OC2CCCCO2)OC1.CCCCCCCCC=CC(C)(C)CO.
What is the InChIKey of 2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane?
The InChIKey is XYVWDIAHAGGWPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H28O.C10H18O3/c1-4-5-6-7-8-9-10-11-12-14(2,3)13-15;1-3-7-11-9(5-1)13-10-6-2-4-8-12-10/h11-12,15H,4-10,13H2,1-3H3;9-10H,1-8H2.
What are the key properties of 2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane?
2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane has a molecular weight of 398.63 g/mol, XLogP of 6.37, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-dimethyldodec-3-en-1-ol;2-(oxan-2-yloxy)oxane is sourced from PubChem (CID 70507744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).