CID 137303043

C24H40O3Si — CID 137303043

IUPAC—
SMILES[CH2]O[C@H](C[C@@](C)(C=C)/C(=C/C)O[Si](C)(C)C)C1(C)C(C)CC[C]2CCC(=O)[C@@H]21
InChIInChI=1S/C24H40O3Si/c1-10-20(27-28(7,8)9)23(4,11-2)16-21(26-6)24(5)17(3)12-13-18-14-15-19(25)22(18)24/h10-11,17,21-22H,2,6,12-16H2,1,3-5,7-9H3/b20-10-/t17?,21-,22-,23-,24?/m1/s1
InChIKeySYOHRXWQSFHJSE-XCQNMGBXSA-N
MW404.67 g/mol
LogP6.49
Rot. Bonds8

About CID 137303043

CID 137303043 (PubChem CID 137303043) has the molecular formula C24H40O3Si and a molecular weight of 404.67 g/mol.

Molecular Properties

Compound NameCID 137303043
PubChem CID137303043
Molecular FormulaC24H40O3Si
Molecular Weight404.67 g/mol
Exact Mass404.27
IUPAC Name—
SMILES[CH2]O[C@H](C[C@@](C)(C=C)/C(=C/C)O[Si](C)(C)C)C1(C)C(C)CC[C]2CCC(=O)[C@@H]21
InChIInChI=1S/C24H40O3Si/c1-10-20(27-28(7,8)9)23(4,11-2)16-21(26-6)24(5)17(3)12-13-18-14-15-19(25)22(18)24/h10-11,17,21-22H,2,6,12-16H2,1,3-5,7-9H3/b20-10-/t17?,21-,22-,23-,24?/m1/s1
InChIKeySYOHRXWQSFHJSE-XCQNMGBXSA-N
XLogP6.49
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.67
LogP ≤ 56.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

trans-Dehydroandrosterone, trimethylsilyl ether
CID 524941
Androst-5-en-17-one, 3-[(trimethylsilyl)oxy]-, (3beta)-
CID 6432386
3beta-Allyldimethylsilyloxypregn-5-en-20-one
CID 91744201
Dehydroepiandrosterone, TMSi (3-O)
CID 14151140
3alpha-(Trimethylsilyl)oxy-androst-5-en-17-one
CID 67974722
3b-(t-Butyldimethylsilyloxy)-15b-(4-pentenyl)androst-5-en-17-one
CID 12149921
(6R)-7-[(E,1R,3S)-3-ethenyl-1-methoxy-3-methyl-4-trimethylsilyloxyhex-4-enyl]-6,7-dimethyl-3,4,5,6-tetrahydro-2H-inden-1-one
CID 134844249
7-[(Z,1R,3S)-3-ethenyl-1-methoxy-3-methyl-4-trimethylsilyloxyhex-4-enyl]-6,7-dimethyl-3,4,5,6-tetrahydro-2H-inden-1-one
CID 134844553
(3aS,6S,7aS)-3a-methyl-6-prop-1-en-2-yl-7a-[tri(propan-2-yl)silyloxymethyl]-3,5,6,7-tetrahydroinden-4-one
CID 134945476
(3aR,7aS)-7a-(3-((tert-butyldimethylsilyl)oxy)propyl)-3,3,6-trimethyl-3,3a,4,6,7,7a-hexahydro-5H-inden-5-one
CID 162786797
5-Androsten-3-alpha-ol-17-one, TMS
CID 91749392
5-Pregnen-3beta-ol-20-one, VDMS
CID 91751745

Frequently Asked Questions

What is the IUPAC name of CID 137303043?
The IUPAC name of CID 137303043 (CID 137303043) is not available.
What is the SMILES notation for CID 137303043?
The canonical SMILES for CID 137303043 is [CH2]O[C@H](C[C@@](C)(C=C)/C(=C/C)O[Si](C)(C)C)C1(C)C(C)CC[C]2CCC(=O)[C@@H]21.
What is the InChIKey of CID 137303043?
The InChIKey is SYOHRXWQSFHJSE-XCQNMGBXSA-N. The full InChI is InChI=1S/C24H40O3Si/c1-10-20(27-28(7,8)9)23(4,11-2)16-21(26-6)24(5)17(3)12-13-18-14-15-19(25)22(18)24/h10-11,17,21-22H,2,6,12-16H2,1,3-5,7-9H3/b20-10-/t17?,21-,22-,23-,24?/m1/s1.
What are the key properties of CID 137303043?
CID 137303043 has a molecular weight of 404.67 g/mol, XLogP of 6.49, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for CID 137303043 is sourced from PubChem (CID 137303043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).