2-[1-[(Z)-1-methoxyprop-1-en-2-yl]oxyethoxy]butan-1-ol

C10H20O4 — CID 129286622

IUPAC2-[1-[(Z)-1-methoxyprop-1-en-2-yl]oxyethoxy]butan-1-ol
SMILESCCC(CO)OC(C)O/C(C)=C\OC
InChIInChI=1S/C10H20O4/c1-5-10(6-11)14-9(3)13-8(2)7-12-4/h7,9-11H,5-6H2,1-4H3/b8-7-
InChIKeyLBMDFDJBINGYTO-FPLPWBNLSA-N
MW204.27 g/mol
LogP1.64
Rot. Bonds7

About 2-[1-[(Z)-1-methoxyprop-1-en-2-yl]oxyethoxy]butan-1-ol

2-[1-[(Z)-1-methoxyprop-1-en-2-yl]oxyethoxy]butan-1-ol (PubChem CID 129286622) has the molecular formula C10H20O4 and a molecular weight of 204.27 g/mol. Its IUPAC name is 2-[1-[(Z)-1-methoxyprop-1-en-2-yl]oxyethoxy]butan-1-ol.

Molecular Properties

Compound Name2-[1-[(Z)-1-methoxyprop-1-en-2-yl]oxyethoxy]butan-1-ol
PubChem CID129286622
Molecular FormulaC10H20O4
Molecular Weight204.27 g/mol
Exact Mass204.14
IUPAC Name2-[1-[(Z)-1-methoxyprop-1-en-2-yl]oxyethoxy]butan-1-ol
SMILESCCC(CO)OC(C)O/C(C)=C\OC
InChIInChI=1S/C10H20O4/c1-5-10(6-11)14-9(3)13-8(2)7-12-4/h7,9-11H,5-6H2,1-4H3/b8-7-
InChIKeyLBMDFDJBINGYTO-FPLPWBNLSA-N
XLogP1.64
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

ethane;2-methoxybutan-1-ol
CID 174440725
(2R)-2-[(2S)-1-silyloxypropan-2-yl]oxybutan-1-ol
CID 123678229
(2R)-3-hydroxy-2-pentan-3-yloxypropanal
CID 46217240
3-(1-methoxyethoxy)hexane
CID 145051636
2-(2-ethoxy-1-methoxyethoxy)butan-1-ol
CID 118017313
(2S)-2-ethoxybutan-1-ol
CID 89167253
2-(1-hydroxy-2-methylpentan-3-yl)oxypropane-1,3-diol
CID 89209098
[(2R)-1-hydroxy-3-methoxypropan-2-yl] acetate
CID 130694563
(2R,3S)-3-[(2R)-1-hydroxy-3-methoxypropan-2-yl]oxypentan-2-ol
CID 88881367
1-(hydroxymethoxy)ethoxymethanol
CID 87328336
[2-(1-hydroxybutan-2-yloxy)-2-methoxyethyl] N-(3-oxobutyl)carbamate
CID 90360417
2-but-2-en-2-yloxybutane
CID 54492212

Frequently Asked Questions

What is the IUPAC name of 2-[1-[(Z)-1-methoxyprop-1-en-2-yl]oxyethoxy]butan-1-ol?
The IUPAC name of 2-[1-[(Z)-1-methoxyprop-1-en-2-yl]oxyethoxy]butan-1-ol (CID 129286622) is 2-[1-[(Z)-1-methoxyprop-1-en-2-yl]oxyethoxy]butan-1-ol.
What is the SMILES notation for 2-[1-[(Z)-1-methoxyprop-1-en-2-yl]oxyethoxy]butan-1-ol?
The canonical SMILES for 2-[1-[(Z)-1-methoxyprop-1-en-2-yl]oxyethoxy]butan-1-ol is CCC(CO)OC(C)O/C(C)=C\OC.
What is the InChIKey of 2-[1-[(Z)-1-methoxyprop-1-en-2-yl]oxyethoxy]butan-1-ol?
The InChIKey is LBMDFDJBINGYTO-FPLPWBNLSA-N. The full InChI is InChI=1S/C10H20O4/c1-5-10(6-11)14-9(3)13-8(2)7-12-4/h7,9-11H,5-6H2,1-4H3/b8-7-.
What are the key properties of 2-[1-[(Z)-1-methoxyprop-1-en-2-yl]oxyethoxy]butan-1-ol?
2-[1-[(Z)-1-methoxyprop-1-en-2-yl]oxyethoxy]butan-1-ol has a molecular weight of 204.27 g/mol, XLogP of 1.64, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[(Z)-1-methoxyprop-1-en-2-yl]oxyethoxy]butan-1-ol is sourced from PubChem (CID 129286622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).