prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene

C9H16O2 — CID 174796957

IUPACprop-1-en-1-ol;1-prop-1-enoxyprop-1-ene
SMILESCC=CO.CC=COC=CC
InChIInChI=1S/C6H10O.C3H6O/c1-3-5-7-6-4-2;1-2-3-4/h3-6H,1-2H3;2-4H,1H3
InChIKeySELPIZGSLFTJEY-UHFFFAOYSA-N
MW156.22 g/mol
LogP3.15
Rot. Bonds2

About prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene

prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene (PubChem CID 174796957) has the molecular formula C9H16O2 and a molecular weight of 156.22 g/mol. Its IUPAC name is prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene.

Molecular Properties

Compound Nameprop-1-en-1-ol;1-prop-1-enoxyprop-1-ene
PubChem CID174796957
Molecular FormulaC9H16O2
Molecular Weight156.22 g/mol
Exact Mass156.12
IUPAC Nameprop-1-en-1-ol;1-prop-1-enoxyprop-1-ene
SMILESCC=CO.CC=COC=CC
InChIInChI=1S/C6H10O.C3H6O/c1-3-5-7-6-4-2;1-2-3-4/h3-6H,1-2H3;2-4H,1H3
InChIKeySELPIZGSLFTJEY-UHFFFAOYSA-N
XLogP3.15
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500156.22
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

actinium;(E)-prop-1-en-1-ol
CID 59069824
(E)-prop-1-en-1-ol;[(E)-prop-1-enyl] acetate
CID 176895749
O-[(Z)-prop-1-enyl] methanethioate
CID 173167979
2-ethyl-2-(hydroxymethyl)propane-1,3-diol;1-prop-1-enoxyprop-1-ene
CID 173289194
prop-1-enoxymethanetriol
CID 141049988
but-2-ene;1-methoxyprop-1-ene
CID 91394801
(E)-prop-1-en-1-ol;urea
CID 87083567
acetic acid;prop-1-en-1-ol
CID 71354158
prop-1-enyl methanehydrazonate
CID 123249427
1-prop-1-enoxyhex-1-ene
CID 57015059
[(E)-prop-1-enoxy]boronic acid
CID 142694195
2-(2-sulfanylethenoxy)ethenol
CID 173322110

Frequently Asked Questions

What is the IUPAC name of prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene?
The IUPAC name of prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene (CID 174796957) is prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene.
What is the SMILES notation for prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene?
The canonical SMILES for prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene is CC=CO.CC=COC=CC.
What is the InChIKey of prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene?
The InChIKey is SELPIZGSLFTJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10O.C3H6O/c1-3-5-7-6-4-2;1-2-3-4/h3-6H,1-2H3;2-4H,1H3.
What are the key properties of prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene?
prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene has a molecular weight of 156.22 g/mol, XLogP of 3.15, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for prop-1-en-1-ol;1-prop-1-enoxyprop-1-ene is sourced from PubChem (CID 174796957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).