O-silyl hept-6-enethioate

C7H14OSSi — CID 154086221

IUPACO-silyl hept-6-enethioate
SMILESC=CCCCCC(=S)O[SiH3]
InChIInChI=1S/C7H14OSSi/c1-2-3-4-5-6-7(9)8-10/h2H,1,3-6H2,10H3
InChIKeyCJDZKJIOAYLALA-UHFFFAOYSA-N
MW174.34 g/mol
LogP1.36
Rot. Bonds5

About O-silyl hept-6-enethioate

O-silyl hept-6-enethioate (PubChem CID 154086221) has the molecular formula C7H14OSSi and a molecular weight of 174.34 g/mol. Its IUPAC name is O-silyl hept-6-enethioate.

Molecular Properties

Compound NameO-silyl hept-6-enethioate
PubChem CID154086221
Molecular FormulaC7H14OSSi
Molecular Weight174.34 g/mol
Exact Mass174.05
IUPAC NameO-silyl hept-6-enethioate
SMILESC=CCCCCC(=S)O[SiH3]
InChIInChI=1S/C7H14OSSi/c1-2-3-4-5-6-7(9)8-10/h2H,1,3-6H2,10H3
InChIKeyCJDZKJIOAYLALA-UHFFFAOYSA-N
XLogP1.36
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.34
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

silyl hept-6-enoate
CID 154077289
9-methylideneicosa-1,19-diene
CID 173334659
2-methoxyocta-1,7-diene
CID 16726270
methyl undec-10-enedithioate
CID 134988678
hex-5-enoxysilane
CID 123933799
heptacosa-1,26-diene
CID 58905535
heptadeca-1,16-diene
CID 6429392
7-methylidenedec-1-ene
CID 123417470
7-ethylnona-1,7-diene
CID 54551079
tricosa-1,22-dien-12-one
CID 86210796
hex-5-enethioamide
CID 88640967
4-pentadec-14-enoxy-4-sulfanylidenebutanoic acid
CID 141140813

Frequently Asked Questions

What is the IUPAC name of O-silyl hept-6-enethioate?
The IUPAC name of O-silyl hept-6-enethioate (CID 154086221) is O-silyl hept-6-enethioate.
What is the SMILES notation for O-silyl hept-6-enethioate?
The canonical SMILES for O-silyl hept-6-enethioate is C=CCCCCC(=S)O[SiH3].
What is the InChIKey of O-silyl hept-6-enethioate?
The InChIKey is CJDZKJIOAYLALA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14OSSi/c1-2-3-4-5-6-7(9)8-10/h2H,1,3-6H2,10H3.
What are the key properties of O-silyl hept-6-enethioate?
O-silyl hept-6-enethioate has a molecular weight of 174.34 g/mol, XLogP of 1.36, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for O-silyl hept-6-enethioate is sourced from PubChem (CID 154086221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).