CID 46867350

C22H38O2Si — CID 46867350

IUPAC—
SMILESCC(C)[Si](O/C=C1\C[C]=[C][C@@H](O)[C@H]2CC(C)(C)C[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C22H38O2Si/c1-15(2)25(16(3)4,17(5)6)24-14-18-10-9-11-21(23)20-13-22(7,8)12-19(18)20/h14-17,19-21,23H,10,12-13H2,1-8H3/b18-14+/t19-,20-,21+/m0/s1
InChIKeyOAHPMVSUIRXPPN-PMPNMAFDSA-N
MW362.63 g/mol
LogP6.04
Rot. Bonds5

About CID 46867350

CID 46867350 (PubChem CID 46867350) has the molecular formula C22H38O2Si and a molecular weight of 362.63 g/mol.

Molecular Properties

Compound NameCID 46867350
PubChem CID46867350
Molecular FormulaC22H38O2Si
Molecular Weight362.63 g/mol
Exact Mass362.26
IUPAC Name—
SMILESCC(C)[Si](O/C=C1\C[C]=[C][C@@H](O)[C@H]2CC(C)(C)C[C@@H]12)(C(C)C)C(C)C
InChIInChI=1S/C22H38O2Si/c1-15(2)25(16(3)4,17(5)6)24-14-18-10-9-11-21(23)20-13-22(7,8)12-19(18)20/h14-17,19-21,23H,10,12-13H2,1-8H3/b18-14+/t19-,20-,21+/m0/s1
InChIKeyOAHPMVSUIRXPPN-PMPNMAFDSA-N
XLogP6.04
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500362.63
LogP ≤ 56.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1S,3aS,5R,8aR)-1-[(2R)-2-hydroxy-6-methylhept-5-en-2-yl]-3a,6-dimethyl-2,3,4,5,8,8a-hexahydro-1H-azulen-5-ol
CID 162846652
(5S,9R)-9-[tert-butyl(dimethyl)silyl]oxy-9-[(1R,2S)-2-[(1S)-1-[tert-butyl(dimethyl)silyl]oxyethyl]-1-methylcyclopentyl]-2,6-dimethylnona-2,6-dien-5-ol
CID 91225739
(1Z,3S,12R,13S,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1-en-3-ol
CID 101049806
(1S,3R,3aR,5aR,8S)-1-[tert-butyl(dimethyl)silyl]oxy-9-(hydroxymethyl)-3a,5a-dimethyl-3-propan-2-yl-1,2,3,4,5,6,7,8-octahydrobenzo[f]azulen-8-ol
CID 134865611
(1E,3R,12R,13S,15R)-13-[tert-butyl(dimethyl)silyl]oxy-15-propan-2-ylbicyclo[10.2.1]pentadec-1-en-3-ol
CID 135067891
(2R)-2-[(1R,3aR,8aR)-3a-(hydroxymethyl)-6-methyl-8a-trimethylsilyloxy-1,2,3,4,7,8-hexahydroazulen-1-yl]propan-1-ol
CID 139037266
(1S,5R,7aS)-4-[3-[tert-butyl(dimethyl)silyl]oxypropyl]-7a-methyl-1-propan-2-yl-1,2,3,5,6,7-hexahydroinden-5-ol
CID 162414441
(1R,3aR,4S,8aR)-7-(2-hydroxypropan-2-yl)-1-methyl-1-triethylsilyloxy-3,3a,4,5,8,8a-hexahydro-2H-azulen-4-ol
CID 166444494
Polasol B
CID 10757067
(3R,3aS,8aS)-3-[(2S)-1-hydroxypropan-2-yl]-5,8a-dimethyl-2,3,3a,6,7,8-hexahydro-1H-azulen-6-ol
CID 11459065
(2R)-2-[(1S,3aR,4S)-4-[tert-butyl(dimethyl)silyl]oxy-1-methyl-2,3,3a,4,5,6-hexahydroinden-1-yl]propan-1-ol
CID 10860336
3,4-dimethyl-1-[(1R,2R)-2-prop-1-en-2-yl-2-triethylsilyloxycyclopentyl]pent-3-en-2-ol
CID 10915178

Frequently Asked Questions

What is the IUPAC name of CID 46867350?
The IUPAC name of CID 46867350 (CID 46867350) is not available.
What is the SMILES notation for CID 46867350?
The canonical SMILES for CID 46867350 is CC(C)[Si](O/C=C1\C[C]=[C][C@@H](O)[C@H]2CC(C)(C)C[C@@H]12)(C(C)C)C(C)C.
What is the InChIKey of CID 46867350?
The InChIKey is OAHPMVSUIRXPPN-PMPNMAFDSA-N. The full InChI is InChI=1S/C22H38O2Si/c1-15(2)25(16(3)4,17(5)6)24-14-18-10-9-11-21(23)20-13-22(7,8)12-19(18)20/h14-17,19-21,23H,10,12-13H2,1-8H3/b18-14+/t19-,20-,21+/m0/s1.
What are the key properties of CID 46867350?
CID 46867350 has a molecular weight of 362.63 g/mol, XLogP of 6.04, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 46867350 is sourced from PubChem (CID 46867350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).