1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol

C12H22O4 — CID 54245312

IUPAC1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol
SMILESCC(O)COC=CCCC=COCC(C)O
InChIInChI=1S/C12H22O4/c1-11(13)9-15-7-5-3-4-6-8-16-10-12(2)14/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyQSWMSIFTEZBSPM-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.59
Rot. Bonds9

About 1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol

1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol (PubChem CID 54245312) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is 1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol.

Molecular Properties

Compound Name1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol
PubChem CID54245312
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Name1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol
SMILESCC(O)COC=CCCC=COCC(C)O
InChIInChI=1S/C12H22O4/c1-11(13)9-15-7-5-3-4-6-8-16-10-12(2)14/h5-8,11-14H,3-4,9-10H2,1-2H3
InChIKeyQSWMSIFTEZBSPM-UHFFFAOYSA-N
XLogP1.59
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

1-(4-bromopent-1-enoxy)propan-2-ol
CID 139925877
1-[2,2-bis(2-hydroxypropoxy)ethenoxy]propan-2-ol
CID 87659385
(2S)-1-[(2S)-2-hydroxypropoxy]propan-2-ol
CID 6950271
dihydroxy-bis(2-hydroxypropoxy)phosphanium
CID 89292241
1-methoxypropan-2-ol chloride
CID 23303898
[2-hydroxy-3-(2-hydroxypropoxymethoxy)propyl] formate
CID 165092067
1-methoxypropan-2-ol;tris(prop-1-ene)
CID 162146240
O-(1-but-1-enoxypropan-2-yl)hydroxylamine
CID 123265440
3-(3-chloroprop-1-enoxy)propane-1,2-diol
CID 174905272
1,2-bis(hex-1-enoxy)oct-3-ene
CID 87649918
1-methoxypropan-2-ol;propane
CID 159966080
3-(hydroperoxymethyl)pentane-2,4-diol
CID 151679348

Frequently Asked Questions

What is the IUPAC name of 1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol?
The IUPAC name of 1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol (CID 54245312) is 1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol.
What is the SMILES notation for 1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol?
The canonical SMILES for 1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol is CC(O)COC=CCCC=COCC(C)O.
What is the InChIKey of 1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol?
The InChIKey is QSWMSIFTEZBSPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-11(13)9-15-7-5-3-4-6-8-16-10-12(2)14/h5-8,11-14H,3-4,9-10H2,1-2H3.
What are the key properties of 1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol?
1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol has a molecular weight of 230.30 g/mol, XLogP of 1.59, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(2-hydroxypropoxy)hexa-1,5-dienoxy]propan-2-ol is sourced from PubChem (CID 54245312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).