CID 23064704

C12H23O4Si — CID 23064704

IUPAC—
SMILESCCC/C=C(\C(=O)O)[Si](OC(C)C)OC(C)C
InChIInChI=1S/C12H23O4Si/c1-6-7-8-11(12(13)14)17(15-9(2)3)16-10(4)5/h8-10H,6-7H2,1-5H3,(H,13,14)/b11-8+
InChIKeyIHXFVWAXFHVBNP-DHZHZOJOSA-N
MW259.40 g/mol
LogP2.67
Rot. Bonds8

About CID 23064704

CID 23064704 (PubChem CID 23064704) has the molecular formula C12H23O4Si and a molecular weight of 259.40 g/mol.

Molecular Properties

Compound NameCID 23064704
PubChem CID23064704
Molecular FormulaC12H23O4Si
Molecular Weight259.40 g/mol
Exact Mass259.14
IUPAC Name—
SMILESCCC/C=C(\C(=O)O)[Si](OC(C)C)OC(C)C
InChIInChI=1S/C12H23O4Si/c1-6-7-8-11(12(13)14)17(15-9(2)3)16-10(4)5/h8-10H,6-7H2,1-5H3,(H,13,14)/b11-8+
InChIKeyIHXFVWAXFHVBNP-DHZHZOJOSA-N
XLogP2.67
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

CID 23064698
CID 23064698
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2-propan-2-yloxyhex-2-ene
CID 123193761
(E)-2-(carbamoylamino)hex-2-enoic acid
CID 87351470
pent-1-ene-1,1-diol
CID 21473005
carboxy hydrogen carbonate;3-methylpent-1-ene
CID 175053878
bis(N,N-dimethylmethanamine);2-methylhex-2-enoic acid;hydrochloride
CID 173034398
3-hydroxyhept-3-enoic acid
CID 173143432
(2Z)-2-butylidene-3-propan-2-ylidenebutanedioic acid
CID 13310370
[(Z)-2-ethylhex-2-enoyl] (Z)-2-ethylhex-2-enoate
CID 87703227
[(E)-oct-4-en-4-yl]-oxo-propan-2-yloxyphosphanium
CID 11195329

Frequently Asked Questions

What is the IUPAC name of CID 23064704?
The IUPAC name of CID 23064704 (CID 23064704) is not available.
What is the SMILES notation for CID 23064704?
The canonical SMILES for CID 23064704 is CCC/C=C(\C(=O)O)[Si](OC(C)C)OC(C)C.
What is the InChIKey of CID 23064704?
The InChIKey is IHXFVWAXFHVBNP-DHZHZOJOSA-N. The full InChI is InChI=1S/C12H23O4Si/c1-6-7-8-11(12(13)14)17(15-9(2)3)16-10(4)5/h8-10H,6-7H2,1-5H3,(H,13,14)/b11-8+.
What are the key properties of CID 23064704?
CID 23064704 has a molecular weight of 259.40 g/mol, XLogP of 2.67, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23064704 is sourced from PubChem (CID 23064704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).