1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol

C16H30O4 — CID 53435769

IUPAC1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol
SMILESCC(C)=CCCC(C)=CC(OCC(C)O)OCC(C)O
InChIInChI=1S/C16H30O4/c1-12(2)7-6-8-13(3)9-16(19-10-14(4)17)20-11-15(5)18/h7,9,14-18H,6,8,10-11H2,1-5H3
InChIKeyMAOZUHCHTZKVDC-UHFFFAOYSA-N
MW286.41 g/mol
LogP2.80
Rot. Bonds10

About 1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol

1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol (PubChem CID 53435769) has the molecular formula C16H30O4 and a molecular weight of 286.41 g/mol. Its IUPAC name is 1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol.

Molecular Properties

Compound Name1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol
PubChem CID53435769
Molecular FormulaC16H30O4
Molecular Weight286.41 g/mol
Exact Mass286.21
IUPAC Name1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol
SMILESCC(C)=CCCC(C)=CC(OCC(C)O)OCC(C)O
InChIInChI=1S/C16H30O4/c1-12(2)7-6-8-13(3)9-16(19-10-14(4)17)20-11-15(5)18/h7,9,14-18H,6,8,10-11H2,1-5H3
InChIKeyMAOZUHCHTZKVDC-UHFFFAOYSA-N
XLogP2.80
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

(2E)-1,1-dimethoxy-3,7-dimethylocta-2,6-diene
CID 5352435
1,1-bis[(2E)-3,7-dimethylocta-2,6-dienoxy]-3,7-dimethylocta-2,6-diene
CID 140578450
(2Z)-1,1-bis[(3S)-3,7-dimethyloct-6-enoxy]-3,7-dimethylocta-2,6-diene
CID 87864001
(2Z)-3,7-dimethyl-1,1-bis(2,2,2-trifluoroethoxy)octa-2,6-diene
CID 90239872
[(2E)-1-acetyloxy-3,7-dimethylocta-2,6-dienyl] acetate
CID 15212203
(7Z)-8,12-dimethyltrideca-7,11-diene-2,6-diol
CID 170337767
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
(6E)-4-[(1E)-2,6-dimethylhepta-1,5-dienyl]-7,11-dimethyldodeca-6,10-dien-2-ol
CID 87169768
(3E)-2-hydroxy-4,8-dimethylnona-3,7-dienal
CID 6433322
(14E,18E,22E)-2,6,10,15,19,23,27-heptamethyloctacosa-2,6,10,14,18,22,26-heptaen-12-ol
CID 88794076
[(2Z)-1-methoxy-3,7-dimethylocta-2,6-dienyl]-trimethylsilane
CID 100914712
(6E)-8-ethyl-2,6-dimethyldeca-2,6-diene
CID 174724877

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol?
The IUPAC name of 1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol (CID 53435769) is 1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol.
What is the SMILES notation for 1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol?
The canonical SMILES for 1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol is CC(C)=CCCC(C)=CC(OCC(C)O)OCC(C)O.
What is the InChIKey of 1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol?
The InChIKey is MAOZUHCHTZKVDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H30O4/c1-12(2)7-6-8-13(3)9-16(19-10-14(4)17)20-11-15(5)18/h7,9,14-18H,6,8,10-11H2,1-5H3.
What are the key properties of 1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol?
1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol has a molecular weight of 286.41 g/mol, XLogP of 2.80, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-hydroxypropoxy)-3,7-dimethylocta-2,6-dienoxy]propan-2-ol is sourced from PubChem (CID 53435769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).