CID 87074067

C6H8O2Si — CID 87074067

IUPAC—
SMILESC=CC[Si]OC(=O)C=C
InChIInChI=1S/C6H8O2Si/c1-3-5-9-8-6(7)4-2/h3-4H,1-2,5H2
InChIKeyWRNNKRQBDJIIEL-UHFFFAOYSA-N
MW140.21 g/mol
LogP0.94
Rot. Bonds4

About CID 87074067

CID 87074067 (PubChem CID 87074067) has the molecular formula C6H8O2Si and a molecular weight of 140.21 g/mol.

Molecular Properties

Compound NameCID 87074067
PubChem CID87074067
Molecular FormulaC6H8O2Si
Molecular Weight140.21 g/mol
Exact Mass140.03
IUPAC Name—
SMILESC=CC[Si]OC(=O)C=C
InChIInChI=1S/C6H8O2Si/c1-3-5-9-8-6(7)4-2/h3-4H,1-2,5H2
InChIKeyWRNNKRQBDJIIEL-UHFFFAOYSA-N
XLogP0.94
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500140.21
LogP ≤ 50.94
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': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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2-(prop-2-enoyloxymethyl)prop-2-enyl prop-2-enoate
CID 87837964
methane;2-oxobut-3-enyl prop-2-enoate
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2-prop-2-enoyloxyethyl prop-2-enoate;zinc
CID 88622091
[(3R,4S)-4-prop-2-enoyloxyhexa-1,5-dien-3-yl] prop-2-enoate
CID 57332053
penta-1,4-dien-2-yl prop-2-enoate
CID 175556103
3-chloroprop-1-ene;methyl prop-2-enoate
CID 19001181
CID 136913499
CID 136913499
CID 21057491
CID 21057491
hepta-1,6-dien-3-yl prop-2-enoate
CID 15319642

Frequently Asked Questions

What is the IUPAC name of CID 87074067?
The IUPAC name of CID 87074067 (CID 87074067) is not available.
What is the SMILES notation for CID 87074067?
The canonical SMILES for CID 87074067 is C=CC[Si]OC(=O)C=C.
What is the InChIKey of CID 87074067?
The InChIKey is WRNNKRQBDJIIEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H8O2Si/c1-3-5-9-8-6(7)4-2/h3-4H,1-2,5H2.
What are the key properties of CID 87074067?
CID 87074067 has a molecular weight of 140.21 g/mol, XLogP of 0.94, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87074067 is sourced from PubChem (CID 87074067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).