1-methoxybuta-1,3-diene;methylsilane;hydrate

C6H16O2Si — CID 174960455

IUPAC1-methoxybuta-1,3-diene;methylsilane;hydrate
SMILESC=CC=COC.C[SiH3].O
InChIInChI=1S/C5H8O.CH6Si.H2O/c1-3-4-5-6-2;1-2;/h3-5H,1H2,2H3;1-2H3;1H2
InChIKeyWTUBJJSGOBRHSD-UHFFFAOYSA-N
MW148.28 g/mol
LogP-0.09
Rot. Bonds2

About 1-methoxybuta-1,3-diene;methylsilane;hydrate

1-methoxybuta-1,3-diene;methylsilane;hydrate (PubChem CID 174960455) has the molecular formula C6H16O2Si and a molecular weight of 148.28 g/mol. Its IUPAC name is 1-methoxybuta-1,3-diene;methylsilane;hydrate.

Molecular Properties

Compound Name1-methoxybuta-1,3-diene;methylsilane;hydrate
PubChem CID174960455
Molecular FormulaC6H16O2Si
Molecular Weight148.28 g/mol
Exact Mass148.09
IUPAC Name1-methoxybuta-1,3-diene;methylsilane;hydrate
SMILESC=CC=COC.C[SiH3].O
InChIInChI=1S/C5H8O.CH6Si.H2O/c1-3-4-5-6-2;1-2;/h3-5H,1H2,2H3;1-2H3;1H2
InChIKeyWTUBJJSGOBRHSD-UHFFFAOYSA-N
XLogP-0.09
TPSA40.73 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500148.28
LogP ≤ 5-0.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

ethane;(1Z)-1-methoxybuta-1,3-diene
CID 143380385
1-methoxybuta-1,3-diene;3-methoxyprop-1-yne
CID 160966775
1,8-dimethoxyocta-1,3,5,7-tetraene
CID 163444931
methylsilane;penta-1,3-diene
CID 157171521
1-(2-methoxyethoxy)buta-1,3-diene
CID 123812918
(1E)-1-ethoxybuta-1,3-diene
CID 5462978
O-[(1Z)-buta-1,3-dienyl]hydroxylamine
CID 143339294
1-ethenoxybuta-1,3-diene
CID 56983443
ethane;ethene;(3E)-hexa-1,3,5-triene
CID 91058254
(1Z)-N-methoxybuta-1,3-dien-1-amine
CID 146939245
buta-1,3-dienyl 2-hydroxyacetate
CID 174778577
(1E,3E,5E,7E)-1-methoxynona-1,3,5,7-tetraene
CID 6440136

Frequently Asked Questions

What is the IUPAC name of 1-methoxybuta-1,3-diene;methylsilane;hydrate?
The IUPAC name of 1-methoxybuta-1,3-diene;methylsilane;hydrate (CID 174960455) is 1-methoxybuta-1,3-diene;methylsilane;hydrate.
What is the SMILES notation for 1-methoxybuta-1,3-diene;methylsilane;hydrate?
The canonical SMILES for 1-methoxybuta-1,3-diene;methylsilane;hydrate is C=CC=COC.C[SiH3].O.
What is the InChIKey of 1-methoxybuta-1,3-diene;methylsilane;hydrate?
The InChIKey is WTUBJJSGOBRHSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H8O.CH6Si.H2O/c1-3-4-5-6-2;1-2;/h3-5H,1H2,2H3;1-2H3;1H2.
What are the key properties of 1-methoxybuta-1,3-diene;methylsilane;hydrate?
1-methoxybuta-1,3-diene;methylsilane;hydrate has a molecular weight of 148.28 g/mol, XLogP of -0.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methoxybuta-1,3-diene;methylsilane;hydrate is sourced from PubChem (CID 174960455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).