1-chlorobut-3-en-2-ol;chlorosilane

C4H10Cl2OSi — CID 173391675

IUPAC1-chlorobut-3-en-2-ol;chlorosilane
SMILESC=CC(O)CCl.[SiH3]Cl
InChIInChI=1S/C4H7ClO.ClH3Si/c1-2-4(6)3-5;1-2/h2,4,6H,1,3H2;2H3
InChIKeyOWGGGNCTJDNVQG-UHFFFAOYSA-N
MW173.11 g/mol
LogP0.28
Rot. Bonds2

About 1-chlorobut-3-en-2-ol;chlorosilane

1-chlorobut-3-en-2-ol;chlorosilane (PubChem CID 173391675) has the molecular formula C4H10Cl2OSi and a molecular weight of 173.11 g/mol. Its IUPAC name is 1-chlorobut-3-en-2-ol;chlorosilane.

Molecular Properties

Compound Name1-chlorobut-3-en-2-ol;chlorosilane
PubChem CID173391675
Molecular FormulaC4H10Cl2OSi
Molecular Weight173.11 g/mol
Exact Mass171.99
IUPAC Name1-chlorobut-3-en-2-ol;chlorosilane
SMILESC=CC(O)CCl.[SiH3]Cl
InChIInChI=1S/C4H7ClO.ClH3Si/c1-2-4(6)3-5;1-2/h2,4,6H,1,3H2;2H3
InChIKeyOWGGGNCTJDNVQG-UHFFFAOYSA-N
XLogP0.28
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.11
LogP ≤ 50.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,5R)-hepta-1,6-diene-3,5-diol
CID 11480453
hept-6-ene-1,5-diol
CID 13479548
hexa-1,5-dien-3-ol;hydrochloride
CID 174661515
7-bromohept-1-en-3-ol
CID 46179806
(3R)-dec-1-en-3-ol
CID 12619485
undec-10-ene-2,9-diol
CID 174994390
undec-1-en-3-ol
CID 3015762
heptadec-1-en-3-ol
CID 11858939
(3S)-3-hydroxypent-4-enoic acid
CID 12740485
(3R)-3-hydroxypent-4-enenitrile
CID 54179979
6-methoxyhex-1-en-3-ol
CID 105108568
deca-1,6-dien-3-ol
CID 56622854

Frequently Asked Questions

What is the IUPAC name of 1-chlorobut-3-en-2-ol;chlorosilane?
The IUPAC name of 1-chlorobut-3-en-2-ol;chlorosilane (CID 173391675) is 1-chlorobut-3-en-2-ol;chlorosilane.
What is the SMILES notation for 1-chlorobut-3-en-2-ol;chlorosilane?
The canonical SMILES for 1-chlorobut-3-en-2-ol;chlorosilane is C=CC(O)CCl.[SiH3]Cl.
What is the InChIKey of 1-chlorobut-3-en-2-ol;chlorosilane?
The InChIKey is OWGGGNCTJDNVQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7ClO.ClH3Si/c1-2-4(6)3-5;1-2/h2,4,6H,1,3H2;2H3.
What are the key properties of 1-chlorobut-3-en-2-ol;chlorosilane?
1-chlorobut-3-en-2-ol;chlorosilane has a molecular weight of 173.11 g/mol, XLogP of 0.28, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-chlorobut-3-en-2-ol;chlorosilane is sourced from PubChem (CID 173391675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).