1-prop-2-enoxyhex-5-en-2-ol

C9H16O2 — CID 12963723

IUPAC1-prop-2-enoxyhex-5-en-2-ol
SMILESC=CCCC(O)COCC=C
InChIInChI=1S/C9H16O2/c1-3-5-6-9(10)8-11-7-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyIDPLHYHNCHRQTG-UHFFFAOYSA-N
MW156.22 g/mol
LogP1.52
Rot. Bonds7

About 1-prop-2-enoxyhex-5-en-2-ol

1-prop-2-enoxyhex-5-en-2-ol (PubChem CID 12963723) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is 1-prop-2-enoxyhex-5-en-2-ol.

Molecular Properties

Compound Name1-prop-2-enoxyhex-5-en-2-ol
PubChem CID12963723
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Name1-prop-2-enoxyhex-5-en-2-ol
SMILESC=CCCC(O)COCC=C
InChIInChI=1S/C9H16O2/c1-3-5-6-9(10)8-11-7-4-2/h3-4,9-10H,1-2,5-8H2
InChIKeyIDPLHYHNCHRQTG-UHFFFAOYSA-N
XLogP1.52
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 51.52
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

CID 154701098
CID 154701098
methane;3-prop-2-enoxypropane-1,2-diol
CID 174709121
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CID 87864573
3-hydroxy-4-prop-2-enoxybutane-1-sulfonic acid
CID 102408153
3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propane-1,2-diol
CID 54120900
1-ethoxy-3-prop-2-enoxypropan-2-ol
CID 10953806
ethenyl 4-hydroxy-5-prop-2-enoxypentanoate
CID 87983588
1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
CID 172513845
1-hydrazinyl-3-prop-2-enoxypropan-2-ol
CID 130123997
(2S)-1-aminohex-5-en-2-ol
CID 34176840
2-(2-hydroxy-3-prop-2-enoxypropoxy)propane-1,3-diol
CID 129166429
1-(dimethylamino)-3-prop-2-enoxypropan-2-ol;hydrochloride
CID 3022344

Frequently Asked Questions

What is the IUPAC name of 1-prop-2-enoxyhex-5-en-2-ol?
The IUPAC name of 1-prop-2-enoxyhex-5-en-2-ol (CID 12963723) is 1-prop-2-enoxyhex-5-en-2-ol.
What is the SMILES notation for 1-prop-2-enoxyhex-5-en-2-ol?
The canonical SMILES for 1-prop-2-enoxyhex-5-en-2-ol is C=CCCC(O)COCC=C.
What is the InChIKey of 1-prop-2-enoxyhex-5-en-2-ol?
The InChIKey is IDPLHYHNCHRQTG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O2/c1-3-5-6-9(10)8-11-7-4-2/h3-4,9-10H,1-2,5-8H2.
What are the key properties of 1-prop-2-enoxyhex-5-en-2-ol?
1-prop-2-enoxyhex-5-en-2-ol has a molecular weight of 156.22 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-prop-2-enoxyhex-5-en-2-ol is sourced from PubChem (CID 12963723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).