1-propoxyprop-1-en-2-ol

C6H12O2 — CID 88536720

IUPAC1-propoxyprop-1-en-2-ol
SMILESCCCOC=C(C)O
InChIInChI=1S/C6H12O2/c1-3-4-8-5-6(2)7/h5,7H,3-4H2,1-2H3
InChIKeyVAKYJVGPYKMNGK-UHFFFAOYSA-N
MW116.16 g/mol
LogP1.83
Rot. Bonds3

About 1-propoxyprop-1-en-2-ol

1-propoxyprop-1-en-2-ol (PubChem CID 88536720) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 1-propoxyprop-1-en-2-ol.

Molecular Properties

Compound Name1-propoxyprop-1-en-2-ol
PubChem CID88536720
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name1-propoxyprop-1-en-2-ol
SMILESCCCOC=C(C)O
InChIInChI=1S/C6H12O2/c1-3-4-8-5-6(2)7/h5,7H,3-4H2,1-2H3
InChIKeyVAKYJVGPYKMNGK-UHFFFAOYSA-N
XLogP1.83
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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-pentoxyprop-1-en-2-ol
CID 173004017
2-methyl-1-propoxybut-1-ene
CID 91198308
1-(2-methylprop-1-enoxy)heptane
CID 22234809
acetic acid;ethane-1,2-diol;1-propoxypropane
CID 87173369
propan-1-ol;propyl formate
CID 19366236
2-(butoxymethylidene)propanedioic acid
CID 149150850
2-cyano-3-propoxyprop-2-enamide
CID 162352552
1-[2-(2-propoxyethenoxy)ethenoxy]propane
CID 90807044
1-(2-ethoxyethenoxy)propane
CID 154115390
2,3-dimethyl-1,4-dipropoxybut-2-ene
CID 131851897
3-methyl-5-propoxypent-2-ene
CID 123743714
3-(butoxymethylidene)pentane
CID 22234811

Frequently Asked Questions

What is the IUPAC name of 1-propoxyprop-1-en-2-ol?
The IUPAC name of 1-propoxyprop-1-en-2-ol (CID 88536720) is 1-propoxyprop-1-en-2-ol.
What is the SMILES notation for 1-propoxyprop-1-en-2-ol?
The canonical SMILES for 1-propoxyprop-1-en-2-ol is CCCOC=C(C)O.
What is the InChIKey of 1-propoxyprop-1-en-2-ol?
The InChIKey is VAKYJVGPYKMNGK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-4-8-5-6(2)7/h5,7H,3-4H2,1-2H3.
What are the key properties of 1-propoxyprop-1-en-2-ol?
1-propoxyprop-1-en-2-ol has a molecular weight of 116.16 g/mol, XLogP of 1.83, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-propoxyprop-1-en-2-ol is sourced from PubChem (CID 88536720), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).