CID 59964404

C20H31O2Si — CID 59964404

IUPAC—
SMILESC[C@H](CC#CC(C)(C)O[Si](C)C)C1=CCC2C(=O)CCC[C@]12C
InChIInChI=1S/C20H31O2Si/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/h11,15,17H,8-10,12,14H2,1-6H3/t15-,17?,20-/m1/s1
InChIKeyCJDLXBSWQLMBMV-QMBUQHDCSA-N
MW331.55 g/mol
LogP4.77
Rot. Bonds4

About CID 59964404

CID 59964404 (PubChem CID 59964404) has the molecular formula C20H31O2Si and a molecular weight of 331.55 g/mol.

Molecular Properties

Compound NameCID 59964404
PubChem CID59964404
Molecular FormulaC20H31O2Si
Molecular Weight331.55 g/mol
Exact Mass331.21
IUPAC Name—
SMILESC[C@H](CC#CC(C)(C)O[Si](C)C)C1=CCC2C(=O)CCC[C@]12C
InChIInChI=1S/C20H31O2Si/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/h11,15,17H,8-10,12,14H2,1-6H3/t15-,17?,20-/m1/s1
InChIKeyCJDLXBSWQLMBMV-QMBUQHDCSA-N
XLogP4.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.55
LogP ≤ 54.77
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'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

CID 59964396
CID 59964396
(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
(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
(3aR,4S,7aS)-1-[(2R)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 100993420
(3aR,4S,7aS)-1-[(2S)-6-hydroxy-6-methylhept-4-yn-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 59910670
[(1R)-3-[2-[(3aS,7aS)-1-[(2R)-6-acetyloxy-6-methylhept-4-yn-2-yl]-7a-methyl-3a,5,6,7-tetrahydro-3H-inden-4-ylidene]ethylidene]-4-methylidenecyclohexyl] acetate
CID 54345364
(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
6-[(7aS)-7a-methyl-4-triethylsilyloxy-3,3a,4,5,6,7-hexahydroinden-1-yl]-2-methylhept-3-yn-2-ol
CID 140598316
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
(3aR,4S,7aS)-1-[(2R)-6-ethyl-6-hydroxyoct-4-yn-2-yl]-7a-methyl-3,3a,4,5,6,7-hexahydroinden-4-ol
CID 57052584
(6R)-6-[(4E,7aS)-7a-methyl-4-[(2Z)-2-(2-methylidenecyclohexylidene)ethylidene]-3a,5,6,7-tetrahydro-3H-inden-1-yl]-2-methylhept-3-yn-2-ol
CID 143290284

Frequently Asked Questions

What is the IUPAC name of CID 59964404?
The IUPAC name of CID 59964404 (CID 59964404) is not available.
What is the SMILES notation for CID 59964404?
The canonical SMILES for CID 59964404 is C[C@H](CC#CC(C)(C)O[Si](C)C)C1=CCC2C(=O)CCC[C@]12C.
What is the InChIKey of CID 59964404?
The InChIKey is CJDLXBSWQLMBMV-QMBUQHDCSA-N. The full InChI is InChI=1S/C20H31O2Si/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/h11,15,17H,8-10,12,14H2,1-6H3/t15-,17?,20-/m1/s1.
What are the key properties of CID 59964404?
CID 59964404 has a molecular weight of 331.55 g/mol, XLogP of 4.77, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59964404 is sourced from PubChem (CID 59964404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).