3-chloro-1-ethoxybut-3-en-2-ol

C6H11ClO2 — CID 130124858

IUPAC3-chloro-1-ethoxybut-3-en-2-ol
SMILESC=C(Cl)C(O)COCC
InChIInChI=1S/C6H11ClO2/c1-3-9-4-6(8)5(2)7/h6,8H,2-4H2,1H3
InChIKeyVMDFWSXBCHLVEY-UHFFFAOYSA-N
MW150.60 g/mol
LogP1.14
Rot. Bonds4

About 3-chloro-1-ethoxybut-3-en-2-ol

3-chloro-1-ethoxybut-3-en-2-ol (PubChem CID 130124858) has the molecular formula C6H11ClO2 and a molecular weight of 150.60 g/mol. Its IUPAC name is 3-chloro-1-ethoxybut-3-en-2-ol.

Molecular Properties

Compound Name3-chloro-1-ethoxybut-3-en-2-ol
PubChem CID130124858
Molecular FormulaC6H11ClO2
Molecular Weight150.60 g/mol
Exact Mass150.04
IUPAC Name3-chloro-1-ethoxybut-3-en-2-ol
SMILESC=C(Cl)C(O)COCC
InChIInChI=1S/C6H11ClO2/c1-3-9-4-6(8)5(2)7/h6,8H,2-4H2,1H3
InChIKeyVMDFWSXBCHLVEY-UHFFFAOYSA-N
XLogP1.14
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500150.60
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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1-ethoxy-3-prop-2-enoxypropan-2-ol
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3-(chloromethyl)-4-ethoxy-2-methylbut-1-ene
CID 55302256
1-ethoxy-3-[2-hydroxy-3-(2-hydroxy-3-prop-2-enoxypropoxy)propoxy]propan-2-ol
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ethoxyethane;2-methylprop-1-ene
CID 19913928
1-ethoxypentan-2-ol
CID 21201051
1-ethoxypropan-2-ol;N-methylmethanamine
CID 88607316
[(2S)-1-ethoxypropan-2-yl] carbonochloridate
CID 124681021
1-ethoxy-3-(2-methylprop-2-enylamino)propan-2-ol
CID 114616793
sodium;3-ethoxypropane-1,2-diol;hydride
CID 173234204

Frequently Asked Questions

What is the IUPAC name of 3-chloro-1-ethoxybut-3-en-2-ol?
The IUPAC name of 3-chloro-1-ethoxybut-3-en-2-ol (CID 130124858) is 3-chloro-1-ethoxybut-3-en-2-ol.
What is the SMILES notation for 3-chloro-1-ethoxybut-3-en-2-ol?
The canonical SMILES for 3-chloro-1-ethoxybut-3-en-2-ol is C=C(Cl)C(O)COCC.
What is the InChIKey of 3-chloro-1-ethoxybut-3-en-2-ol?
The InChIKey is VMDFWSXBCHLVEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11ClO2/c1-3-9-4-6(8)5(2)7/h6,8H,2-4H2,1H3.
What are the key properties of 3-chloro-1-ethoxybut-3-en-2-ol?
3-chloro-1-ethoxybut-3-en-2-ol has a molecular weight of 150.60 g/mol, XLogP of 1.14, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-1-ethoxybut-3-en-2-ol is sourced from PubChem (CID 130124858), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).