2-methoxypent-4-en-1-ol

C6H12O2 — CID 90985403

IUPAC2-methoxypent-4-en-1-ol
SMILESC=CCC(CO)OC
InChIInChI=1S/C6H12O2/c1-3-4-6(5-7)8-2/h3,6-7H,1,4-5H2,2H3
InChIKeyYWNFFEBNCAVKSU-UHFFFAOYSA-N
MW116.16 g/mol
LogP0.57
Rot. Bonds4

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

2-methoxypent-4-en-1-ol (PubChem CID 90985403) has the molecular formula C6H12O2 and a molecular weight of 116.16 g/mol. Its IUPAC name is 2-methoxypent-4-en-1-ol.

Molecular Properties

Compound Name2-methoxypent-4-en-1-ol
PubChem CID90985403
Molecular FormulaC6H12O2
Molecular Weight116.16 g/mol
Exact Mass116.08
IUPAC Name2-methoxypent-4-en-1-ol
SMILESC=CCC(CO)OC
InChIInChI=1S/C6H12O2/c1-3-4-6(5-7)8-2/h3,6-7H,1,4-5H2,2H3
InChIKeyYWNFFEBNCAVKSU-UHFFFAOYSA-N
XLogP0.57
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500116.16
LogP ≤ 50.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

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[(2S)-1-hydroxypent-4-en-2-yl] carbamate
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(4Z,7Z,10Z,13Z,16Z,19Z)-2-methoxydocosa-4,7,10,13,16,19-hexaen-1-ol
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(2R)-2-[(4-methoxyphenyl)methoxy]pent-4-en-1-ol
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Frequently Asked Questions

What is the IUPAC name of 2-methoxypent-4-en-1-ol?
The IUPAC name of 2-methoxypent-4-en-1-ol (CID 90985403) is 2-methoxypent-4-en-1-ol.
What is the SMILES notation for 2-methoxypent-4-en-1-ol?
The canonical SMILES for 2-methoxypent-4-en-1-ol is C=CCC(CO)OC.
What is the InChIKey of 2-methoxypent-4-en-1-ol?
The InChIKey is YWNFFEBNCAVKSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12O2/c1-3-4-6(5-7)8-2/h3,6-7H,1,4-5H2,2H3.
What are the key properties of 2-methoxypent-4-en-1-ol?
2-methoxypent-4-en-1-ol has a molecular weight of 116.16 g/mol, XLogP of 0.57, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxypent-4-en-1-ol is sourced from PubChem (CID 90985403), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).