CID 59964396

C20H33O2Si — CID 59964396

IUPAC—
SMILESC[C@H](C/C=C/C(C)(C)O[Si](C)C)C1=CCC2C(=O)CCC[C@]12C
InChIInChI=1S/C20H33O2Si/c1-15(9-7-13-19(2,3)22-23(5)6)16-11-12-17-18(21)10-8-14-20(16,17)4/h7,11,13,15,17H,8-10,12,14H2,1-6H3/b13-7+/t15-,17?,20-/m1/s1
InChIKeyYCCYPEXWAFYHGU-RJAWNXFRSA-N
MW333.57 g/mol
LogP5.32
Rot. Bonds6

About CID 59964396

CID 59964396 (PubChem CID 59964396) has the molecular formula C20H33O2Si and a molecular weight of 333.57 g/mol.

Molecular Properties

Compound NameCID 59964396
PubChem CID59964396
Molecular FormulaC20H33O2Si
Molecular Weight333.57 g/mol
Exact Mass333.22
IUPAC Name—
SMILESC[C@H](C/C=C/C(C)(C)O[Si](C)C)C1=CCC2C(=O)CCC[C@]12C
InChIInChI=1S/C20H33O2Si/c1-15(9-7-13-19(2,3)22-23(5)6)16-11-12-17-18(21)10-8-14-20(16,17)4/h7,11,13,15,17H,8-10,12,14H2,1-6H3/b13-7+/t15-,17?,20-/m1/s1
InChIKeyYCCYPEXWAFYHGU-RJAWNXFRSA-N
XLogP5.32
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.57
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(3aR,7aS)-7a-methyl-1-[(E,2S)-6-methyl-6-trimethylsilyloxyhept-4-en-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-one
CID 59910684
(7aS)-1-[(E,2S)-6,6-dimethylhept-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-one;(4S,7aS)-1-[(E,2S)-6-hydroxy-6-methylhept-4-en-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 162100883
7a-methyl-1-[(E)-7,7,7-trifluoro-6-(trifluoromethyl)-6-trimethylsilyloxyhept-4-en-2-yl]-3a,5,6,7-tetrahydro-3H-inden-4-one
CID 18426894
CID 59964404
CID 59964404
(3aR,7aS)-1-[(2S)-6-hydroxy-6-methylheptan-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-one
CID 59910669
(3aR,7aS)-1-[(2R)-7,7-dimethyl-6-oxooctan-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-one
CID 11833658
(E,7S)-7-[(4E,7aS)-4-[(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]-3-ethyloct-4-en-3-ol
CID 143018965
(E)-3-ethyl-7-[(4E)-4-[(2Z)-2-(3-fluoro-2-methylidenecyclohexylidene)ethylidene]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-1-yl]oct-4-en-3-ol
CID 143086895
(3aR,7aS)-1-[(E,2R)-5-tert-butylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-one;(1S,3Z)-3-[(2E)-2-[(3aS,7aS)-1-[(E,2R)-5-tert-butylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol;[[(2Z)-2-[(5S)-5-methyl-2-methylidenecyclohexylidene]ethyl]-phenylphosphoryl]benzene
CID 158052033
trans-(1S,3R)-5-[2-[(3aS,7aS)-1-[(2R)-5-tert-butylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 90796374
trans-(1R,3S)-5-[2-[(3aS,7aS)-1-[(2R)-5-tert-butylsulfonylpent-4-en-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexane-1,3-diol
CID 91440262
3-amino-5-[2-[1-(6-ethyl-6-hydroxyoct-4-en-2-yl)-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexan-1-ol
CID 123712135

Frequently Asked Questions

What is the IUPAC name of CID 59964396?
The IUPAC name of CID 59964396 (CID 59964396) is not available.
What is the SMILES notation for CID 59964396?
The canonical SMILES for CID 59964396 is C[C@H](C/C=C/C(C)(C)O[Si](C)C)C1=CCC2C(=O)CCC[C@]12C.
What is the InChIKey of CID 59964396?
The InChIKey is YCCYPEXWAFYHGU-RJAWNXFRSA-N. The full InChI is InChI=1S/C20H33O2Si/c1-15(9-7-13-19(2,3)22-23(5)6)16-11-12-17-18(21)10-8-14-20(16,17)4/h7,11,13,15,17H,8-10,12,14H2,1-6H3/b13-7+/t15-,17?,20-/m1/s1.
What are the key properties of CID 59964396?
CID 59964396 has a molecular weight of 333.57 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59964396 is sourced from PubChem (CID 59964396), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).