CID 172634640

C24H31FO3Si — CID 172634640

IUPAC—
SMILESCOCOc1cc(O)c2c(C#C[Si]C(C(C)C)(C(C)C)C(C)C)c(F)ccc2c1
InChIInChI=1S/C24H31FO3Si/c1-15(2)24(16(3)4,17(5)6)29-11-10-20-21(25)9-8-18-12-19(28-14-27-7)13-22(26)23(18)20/h8-9,12-13,15-17,26H,14H2,1-7H3
InChIKeyCNASEHWIFDXTQO-UHFFFAOYSA-N
MW414.59 g/mol
LogP5.81
Rot. Bonds7

About CID 172634640

CID 172634640 (PubChem CID 172634640) has the molecular formula C24H31FO3Si and a molecular weight of 414.59 g/mol.

Molecular Properties

Compound NameCID 172634640
PubChem CID172634640
Molecular FormulaC24H31FO3Si
Molecular Weight414.59 g/mol
Exact Mass414.20
IUPAC Name—
SMILESCOCOc1cc(O)c2c(C#C[Si]C(C(C)C)(C(C)C)C(C)C)c(F)ccc2c1
InChIInChI=1S/C24H31FO3Si/c1-15(2)24(16(3)4,17(5)6)29-11-10-20-21(25)9-8-18-12-19(28-14-27-7)13-22(26)23(18)20/h8-9,12-13,15-17,26H,14H2,1-7H3
InChIKeyCNASEHWIFDXTQO-UHFFFAOYSA-N
XLogP5.81
TPSA38.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.59
LogP ≤ 55.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

6,7-difluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-ol
CID 169315117
7-chloro-8-fluoro-3-(methoxymethoxy)naphthalen-1-ol
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[8-chloro-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl]methyl-trimethylstannane
CID 169225350
[8-ethyl-7-fluoro-3-(methoxymethoxy)naphthalen-1-yl] 2,2-dimethylbutanoate
CID 176690484
6-fluoro-4-propan-2-yl-5-prop-1-ynylnaphthalen-2-ol
CID 170081699
2-bromo-1-fluoro-4-(methoxymethoxy)benzene
CID 83236358
tert-butyl 3-[2-cyclohexyloxy-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-4-yl]-3,8-diazabicyclo[3.2.1]octane-8-carboxylate
CID 174138229
1-[[4-(azepan-1-yl)-8-fluoro-7-[7-fluoro-3-(methoxymethoxy)-8-[2-tri(propan-2-yl)silylethynyl]naphthalen-1-yl]pyrido[4,3-d]pyrimidin-2-yl]oxymethyl]cyclopropane-1-carbaldehyde
CID 177305556
(1R)-1-[2-fluoro-4-(methoxymethoxy)phenyl]ethanol
CID 107720039
[3-(methoxymethoxy)-8-prop-1-ynylnaphthalen-1-yl]methanediol
CID 171756668
2-[8-chloro-2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethyl 3-ethylhexanoate
CID 175816022
2-[8-[4-(3,8-diazabicyclo[3.2.1]octan-3-yl)-8-fluoro-2-(2,2,2-trifluoroethoxy)pyrido[4,3-d]pyrimidin-7-yl]-2-fluoro-6-(methoxymethoxy)naphthalen-1-yl]ethynyl-tri(propan-2-yl)silane
CID 175916525

Frequently Asked Questions

What is the IUPAC name of CID 172634640?
The IUPAC name of CID 172634640 (CID 172634640) is not available.
What is the SMILES notation for CID 172634640?
The canonical SMILES for CID 172634640 is COCOc1cc(O)c2c(C#C[Si]C(C(C)C)(C(C)C)C(C)C)c(F)ccc2c1.
What is the InChIKey of CID 172634640?
The InChIKey is CNASEHWIFDXTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31FO3Si/c1-15(2)24(16(3)4,17(5)6)29-11-10-20-21(25)9-8-18-12-19(28-14-27-7)13-22(26)23(18)20/h8-9,12-13,15-17,26H,14H2,1-7H3.
What are the key properties of CID 172634640?
CID 172634640 has a molecular weight of 414.59 g/mol, XLogP of 5.81, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 172634640 is sourced from PubChem (CID 172634640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).