2-(2-methoxybut-3-enoxy)but-3-en-1-ol

C9H16O3 — CID 20697416

IUPAC2-(2-methoxybut-3-enoxy)but-3-en-1-ol
SMILESC=CC(COC(C=C)CO)OC
InChIInChI=1S/C9H16O3/c1-4-8(6-10)12-7-9(5-2)11-3/h4-5,8-10H,1-2,6-7H2,3H3
InChIKeyLGYPNVPGVANFIY-UHFFFAOYSA-N
MW172.22 g/mol
LogP0.75
Rot. Bonds7

About 2-(2-methoxybut-3-enoxy)but-3-en-1-ol

2-(2-methoxybut-3-enoxy)but-3-en-1-ol (PubChem CID 20697416) has the molecular formula C9H16O3 and a molecular weight of 172.22 g/mol. Its IUPAC name is 2-(2-methoxybut-3-enoxy)but-3-en-1-ol.

Molecular Properties

Compound Name2-(2-methoxybut-3-enoxy)but-3-en-1-ol
PubChem CID20697416
Molecular FormulaC9H16O3
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name2-(2-methoxybut-3-enoxy)but-3-en-1-ol
SMILESC=CC(COC(C=C)CO)OC
InChIInChI=1S/C9H16O3/c1-4-8(6-10)12-7-9(5-2)11-3/h4-5,8-10H,1-2,6-7H2,3H3
InChIKeyLGYPNVPGVANFIY-UHFFFAOYSA-N
XLogP0.75
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

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2-Propanol, 1-(2-propenyloxy)-
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1-Propanol, 2,3-bis(2-propenyloxy)-
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2-Methoxy-3-buten-1-OL
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1-[1-Methyl-2-[1-methyl-2-(2-propen-1-yloxy)ethoxy]ethoxy]-2-propanol
CID 22253225
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3-[(1S)-1-prop-2-enoxyethyl]penta-1,4-dien-3-ol
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Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxybut-3-enoxy)but-3-en-1-ol?
The IUPAC name of 2-(2-methoxybut-3-enoxy)but-3-en-1-ol (CID 20697416) is 2-(2-methoxybut-3-enoxy)but-3-en-1-ol.
What is the SMILES notation for 2-(2-methoxybut-3-enoxy)but-3-en-1-ol?
The canonical SMILES for 2-(2-methoxybut-3-enoxy)but-3-en-1-ol is C=CC(COC(C=C)CO)OC.
What is the InChIKey of 2-(2-methoxybut-3-enoxy)but-3-en-1-ol?
The InChIKey is LGYPNVPGVANFIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16O3/c1-4-8(6-10)12-7-9(5-2)11-3/h4-5,8-10H,1-2,6-7H2,3H3.
What are the key properties of 2-(2-methoxybut-3-enoxy)but-3-en-1-ol?
2-(2-methoxybut-3-enoxy)but-3-en-1-ol has a molecular weight of 172.22 g/mol, XLogP of 0.75, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxybut-3-enoxy)but-3-en-1-ol is sourced from PubChem (CID 20697416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).