(5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol

C20H34OSi — CID 135019970

IUPAC(5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol
SMILESC=CCC(C)(C)[C@@H](O)C#CC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H34OSi/c1-10-14-20(8,9)19(21)13-11-12-15-22(16(2)3,17(4)5)18(6)7/h10,16-19,21H,1,14H2,2-9H3/t19-/m0/s1
InChIKeyAEBPMKKEICNMQS-IBGZPJMESA-N
MW318.58 g/mol
LogP5.17
Rot. Bonds6

About (5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol

(5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol (PubChem CID 135019970) has the molecular formula C20H34OSi and a molecular weight of 318.58 g/mol. Its IUPAC name is (5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol.

Molecular Properties

Compound Name(5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol
PubChem CID135019970
Molecular FormulaC20H34OSi
Molecular Weight318.58 g/mol
Exact Mass318.24
IUPAC Name(5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol
SMILESC=CCC(C)(C)[C@@H](O)C#CC#C[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C20H34OSi/c1-10-14-20(8,9)19(21)13-11-12-15-22(16(2)3,17(4)5)18(6)7/h10,16-19,21H,1,14H2,2-9H3/t19-/m0/s1
InChIKeyAEBPMKKEICNMQS-IBGZPJMESA-N
XLogP5.17
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500318.58
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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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Frequently Asked Questions

What is the IUPAC name of (5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol?
The IUPAC name of (5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol (CID 135019970) is (5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol.
What is the SMILES notation for (5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol?
The canonical SMILES for (5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol is C=CCC(C)(C)[C@@H](O)C#CC#C[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol?
The InChIKey is AEBPMKKEICNMQS-IBGZPJMESA-N. The full InChI is InChI=1S/C20H34OSi/c1-10-14-20(8,9)19(21)13-11-12-15-22(16(2)3,17(4)5)18(6)7/h10,16-19,21H,1,14H2,2-9H3/t19-/m0/s1.
What are the key properties of (5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol?
(5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol has a molecular weight of 318.58 g/mol, XLogP of 5.17, 6 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-6,6-dimethyl-1-tri(propan-2-yl)silylnon-8-en-1,3-diyn-5-ol is sourced from PubChem (CID 135019970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).