CID 58271621

C20H30O6Si — CID 58271621

IUPAC—
SMILESCCCCCOc1ccc(C=CC(=O)OC(O)COCCC[Si]OC)cc1
InChIInChI=1S/C20H30O6Si/c1-3-4-5-14-25-18-10-7-17(8-11-18)9-12-19(21)26-20(22)16-24-13-6-15-27-23-2/h7-12,20,22H,3-6,13-16H2,1-2H3
InChIKeyIQCOACIIXMBOEN-UHFFFAOYSA-N
MW394.54 g/mol
LogP3.22
Rot. Bonds15

About CID 58271621

CID 58271621 (PubChem CID 58271621) has the molecular formula C20H30O6Si and a molecular weight of 394.54 g/mol.

Molecular Properties

Compound NameCID 58271621
PubChem CID58271621
Molecular FormulaC20H30O6Si
Molecular Weight394.54 g/mol
Exact Mass394.18
IUPAC Name—
SMILESCCCCCOc1ccc(C=CC(=O)OC(O)COCCC[Si]OC)cc1
InChIInChI=1S/C20H30O6Si/c1-3-4-5-14-25-18-10-7-17(8-11-18)9-12-19(21)26-20(22)16-24-13-6-15-27-23-2/h7-12,20,22H,3-6,13-16H2,1-2H3
InChIKeyIQCOACIIXMBOEN-UHFFFAOYSA-N
XLogP3.22
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds15
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.54
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

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CID 54124536
3-(4-decoxyphenyl)prop-2-enoic acid
CID 3472198
(6-pentoxynaphthalen-2-yl) 3-(4-octoxyphenyl)prop-2-enoate
CID 91155097
3-[4-(2-hexoxyethoxy)phenyl]prop-2-enoic acid
CID 76908990
(4-butoxyphenyl) 3-(4-hexoxy-3-methoxyphenyl)prop-2-enoate
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(4-prop-2-enoyloxyphenyl) (E)-3-(4-hexoxyphenyl)prop-2-enoate
CID 59668527
tert-butyl (E)-3-[4-(4-pentoxyphenyl)phenyl]prop-2-enoate
CID 22925871
2-chloroethyl (E)-3-(4-tetradecoxyphenyl)prop-2-enoate
CID 12637001
butyl 3-(4-propoxyphenyl)prop-2-enoate
CID 130331854
(E)-3-(4-octadecoxyphenyl)prop-2-enoyl chloride
CID 11059159

Frequently Asked Questions

What is the IUPAC name of CID 58271621?
The IUPAC name of CID 58271621 (CID 58271621) is not available.
What is the SMILES notation for CID 58271621?
The canonical SMILES for CID 58271621 is CCCCCOc1ccc(C=CC(=O)OC(O)COCCC[Si]OC)cc1.
What is the InChIKey of CID 58271621?
The InChIKey is IQCOACIIXMBOEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O6Si/c1-3-4-5-14-25-18-10-7-17(8-11-18)9-12-19(21)26-20(22)16-24-13-6-15-27-23-2/h7-12,20,22H,3-6,13-16H2,1-2H3.
What are the key properties of CID 58271621?
CID 58271621 has a molecular weight of 394.54 g/mol, XLogP of 3.22, 15 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for CID 58271621 is sourced from PubChem (CID 58271621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).