silyl hept-6-enoate

C7H14O2Si — CID 154077289

IUPACsilyl hept-6-enoate
SMILESC=CCCCCC(=O)O[SiH3]
InChIInChI=1S/C7H14O2Si/c1-2-3-4-5-6-7(8)9-10/h2H,1,3-6H2,10H3
InChIKeyYBVMXADNZBAPGF-UHFFFAOYSA-N
MW158.27 g/mol
LogP0.56
Rot. Bonds5

About silyl hept-6-enoate

silyl hept-6-enoate (PubChem CID 154077289) has the molecular formula C7H14O2Si and a molecular weight of 158.27 g/mol. Its IUPAC name is silyl hept-6-enoate.

Molecular Properties

Compound Namesilyl hept-6-enoate
PubChem CID154077289
Molecular FormulaC7H14O2Si
Molecular Weight158.27 g/mol
Exact Mass158.08
IUPAC Namesilyl hept-6-enoate
SMILESC=CCCCCC(=O)O[SiH3]
InChIInChI=1S/C7H14O2Si/c1-2-3-4-5-6-7(8)9-10/h2H,1,3-6H2,10H3
InChIKeyYBVMXADNZBAPGF-UHFFFAOYSA-N
XLogP0.56
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.27
LogP ≤ 50.56
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'}

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Related Compounds

dec-9-eneperoxoic acid
CID 177164421
but-3-enyl hept-6-enoate
CID 86101121
2-dec-9-enoyloxyethyl dec-9-enoate
CID 153465043
sulfanyl undec-10-enoate
CID 87067735
ethyl hept-6-enoate
CID 560341
O-silyl hept-6-enethioate
CID 154086221
bis(pent-4-enyl) decanedioate
CID 91694638
dimethyl octadec-9-enedioate;methyl dec-9-enoate
CID 159471002
prop-2-enoyl undec-10-enoate;zinc
CID 174962739
2-hydroxyethyl dec-9-enoate
CID 87084822
tricosa-1,22-dien-12-one
CID 86210796
undec-10-enyl 7-undec-10-enoxyheptanoate
CID 140771622

Frequently Asked Questions

What is the IUPAC name of silyl hept-6-enoate?
The IUPAC name of silyl hept-6-enoate (CID 154077289) is silyl hept-6-enoate.
What is the SMILES notation for silyl hept-6-enoate?
The canonical SMILES for silyl hept-6-enoate is C=CCCCCC(=O)O[SiH3].
What is the InChIKey of silyl hept-6-enoate?
The InChIKey is YBVMXADNZBAPGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14O2Si/c1-2-3-4-5-6-7(8)9-10/h2H,1,3-6H2,10H3.
What are the key properties of silyl hept-6-enoate?
silyl hept-6-enoate has a molecular weight of 158.27 g/mol, XLogP of 0.56, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for silyl hept-6-enoate is sourced from PubChem (CID 154077289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).