1-ethenoxypropane;2-methoxypent-4-en-1-ol

C11H22O3 — CID 174961745

IUPAC1-ethenoxypropane;2-methoxypent-4-en-1-ol
SMILESC=CCC(CO)OC.C=COCCC
InChIInChI=1S/C6H12O2.C5H10O/c1-3-4-6(5-7)8-2;1-3-5-6-4-2/h3,6-7H,1,4-5H2,2H3;4H,2-3,5H2,1H3
InChIKeyIKUFOQOKCHSYJP-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.13
Rot. Bonds7

About 1-ethenoxypropane;2-methoxypent-4-en-1-ol

1-ethenoxypropane;2-methoxypent-4-en-1-ol (PubChem CID 174961745) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is 1-ethenoxypropane;2-methoxypent-4-en-1-ol.

Molecular Properties

Compound Name1-ethenoxypropane;2-methoxypent-4-en-1-ol
PubChem CID174961745
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Name1-ethenoxypropane;2-methoxypent-4-en-1-ol
SMILESC=CCC(CO)OC.C=COCCC
InChIInChI=1S/C6H12O2.C5H10O/c1-3-4-6(5-7)8-2;1-3-5-6-4-2/h3,6-7H,1,4-5H2,2H3;4H,2-3,5H2,1H3
InChIKeyIKUFOQOKCHSYJP-UHFFFAOYSA-N
XLogP2.13
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-methoxypent-4-en-1-ol
CID 90985403
4,5-dimethoxypent-1-ene
CID 73040162
2-(2-methoxyethoxymethoxy)pent-4-en-1-ol
CID 74389573
4-methoxynon-1-ene
CID 13284925
methane;2-methoxybutan-1-ol;2-(methoxymethyl)butan-1-ol;1-methoxypropane
CID 157097791
3-butoxyhex-5-en-1-ol
CID 90780016
ethanol;1-ethenoxy-2-(2-ethenoxyethoxy)ethane
CID 174885863
(4Z,7Z,10Z,13Z,16Z,19Z)-2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol
CID 25122253
2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol
CID 91147022
1,4-bis(ethenoxy)butane;butane
CID 158192522
ethane;2-methoxybutan-1-ol
CID 174440725
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CID 46186048

Frequently Asked Questions

What is the IUPAC name of 1-ethenoxypropane;2-methoxypent-4-en-1-ol?
The IUPAC name of 1-ethenoxypropane;2-methoxypent-4-en-1-ol (CID 174961745) is 1-ethenoxypropane;2-methoxypent-4-en-1-ol.
What is the SMILES notation for 1-ethenoxypropane;2-methoxypent-4-en-1-ol?
The canonical SMILES for 1-ethenoxypropane;2-methoxypent-4-en-1-ol is C=CCC(CO)OC.C=COCCC.
What is the InChIKey of 1-ethenoxypropane;2-methoxypent-4-en-1-ol?
The InChIKey is IKUFOQOKCHSYJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2.C5H10O/c1-3-4-6(5-7)8-2;1-3-5-6-4-2/h3,6-7H,1,4-5H2,2H3;4H,2-3,5H2,1H3.
What are the key properties of 1-ethenoxypropane;2-methoxypent-4-en-1-ol?
1-ethenoxypropane;2-methoxypent-4-en-1-ol has a molecular weight of 202.29 g/mol, XLogP of 2.13, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethenoxypropane;2-methoxypent-4-en-1-ol is sourced from PubChem (CID 174961745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).