CID 177343190

C8H13O2Si — CID 177343190

IUPAC—
SMILESCCCC/C=C(\C)C(=O)O[Si]
InChIInChI=1S/C8H13O2Si/c1-3-4-5-6-7(2)8(9)10-11/h6H,3-5H2,1-2H3/b7-6+
InChIKeySBADLFZCNXTRSA-VOTSOKGWSA-N
MW169.28 g/mol
LogP1.75
Rot. Bonds4

About CID 177343190

CID 177343190 (PubChem CID 177343190) has the molecular formula C8H13O2Si and a molecular weight of 169.28 g/mol.

Molecular Properties

Compound NameCID 177343190
PubChem CID177343190
Molecular FormulaC8H13O2Si
Molecular Weight169.28 g/mol
Exact Mass169.07
IUPAC Name—
SMILESCCCC/C=C(\C)C(=O)O[Si]
InChIInChI=1S/C8H13O2Si/c1-3-4-5-6-7(2)8(9)10-11/h6H,3-5H2,1-2H3/b7-6+
InChIKeySBADLFZCNXTRSA-VOTSOKGWSA-N
XLogP1.75
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500169.28
LogP ≤ 51.75
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

methyl (E)-2-methylhept-2-enoate
CID 13122847
phosphanyl 2-methylhept-2-enoate
CID 174654525
propyl (E)-2-methylhept-2-enoate
CID 13122849
2-methylbut-2-enoyl 2-methylhept-2-enoate
CID 173170263
methylamino 2-methylhept-2-enoate
CID 174825179
2-methylpentadec-2-enoyl 2-methylhenicos-2-enoate
CID 173367068
methyl 2-methyloct-2-enoate
CID 71403822
2-hydroxyethyl 2-methylhept-2-enoate
CID 154084583
tri(propan-2-yl)silyl (E)-2-methylhept-2-enoate
CID 101496063
2,4,4-trimethylpent-2-enoyl 2-methylhept-2-enoate
CID 173081152
(4-methylcyclohexyl) 2-methylhept-2-enoate
CID 174863490
dodecyl 2-methylhenicos-2-enoate
CID 57172953

Frequently Asked Questions

What is the IUPAC name of CID 177343190?
The IUPAC name of CID 177343190 (CID 177343190) is not available.
What is the SMILES notation for CID 177343190?
The canonical SMILES for CID 177343190 is CCCC/C=C(\C)C(=O)O[Si].
What is the InChIKey of CID 177343190?
The InChIKey is SBADLFZCNXTRSA-VOTSOKGWSA-N. The full InChI is InChI=1S/C8H13O2Si/c1-3-4-5-6-7(2)8(9)10-11/h6H,3-5H2,1-2H3/b7-6+.
What are the key properties of CID 177343190?
CID 177343190 has a molecular weight of 169.28 g/mol, XLogP of 1.75, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 177343190 is sourced from PubChem (CID 177343190), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).