(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol

C26H38O2Si — CID 23238598

IUPAC(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol
SMILESC=C(CCCCC)C[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38O2Si/c1-6-7-10-15-22(2)20-23(27)21-28-29(26(3,4)5,24-16-11-8-12-17-24)25-18-13-9-14-19-25/h8-9,11-14,16-19,23,27H,2,6-7,10,15,20-21H2,1,3-5H3/t23-/m1/s1
InChIKeyYZJUENVPUXIIFP-HSZRJFAPSA-N
MW410.67 g/mol
LogP5.45
Rot. Bonds11

About (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol (PubChem CID 23238598) has the molecular formula C26H38O2Si and a molecular weight of 410.67 g/mol. Its IUPAC name is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol.

Molecular Properties

Compound Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol
PubChem CID23238598
Molecular FormulaC26H38O2Si
Molecular Weight410.67 g/mol
Exact Mass410.26
IUPAC Name(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol
SMILESC=C(CCCCC)C[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C26H38O2Si/c1-6-7-10-15-22(2)20-23(27)21-28-29(26(3,4)5,24-16-11-8-12-17-24)25-18-13-9-14-19-25/h8-9,11-14,16-19,23,27H,2,6-7,10,15,20-21H2,1,3-5H3/t23-/m1/s1
InChIKeyYZJUENVPUXIIFP-HSZRJFAPSA-N
XLogP5.45
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.67
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(2R)-1-[tert-butyl(diphenyl)silyl]oxy-2-hydroxynonan-4-one
CID 11037048
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-docosoxypropan-2-ol
CID 171529712
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(5S)-6-[tert-butyl(diphenyl)silyl]oxy-2-methylidenehexane-1,5-diol
CID 101435848
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-5-methylhex-5-en-2-ol
CID 16736189
(3R)-1-[tert-butyl(diphenyl)silyl]oxytetradecan-3-ol
CID 10096198
1-[tert-butyl(diphenyl)silyl]oxy-3-methoxypropan-2-ol
CID 172588590
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-chloropropan-2-ol
CID 124630717
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-3-sulfanylpropan-2-ol
CID 15451317
[1-[tert-butyl(diphenyl)silyl]oxy-3-prop-2-enoxypropan-2-yl] hexadecanoate
CID 10919152
methyl (3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-hydroxybutanoate
CID 11749095
tert-butyl-[(2S,6S)-2,6-dimethyltridecoxy]-diphenylsilane
CID 11634122

Frequently Asked Questions

What is the IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol?
The IUPAC name of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol (CID 23238598) is (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol.
What is the SMILES notation for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol?
The canonical SMILES for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol is C=C(CCCCC)C[C@@H](O)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol?
The InChIKey is YZJUENVPUXIIFP-HSZRJFAPSA-N. The full InChI is InChI=1S/C26H38O2Si/c1-6-7-10-15-22(2)20-23(27)21-28-29(26(3,4)5,24-16-11-8-12-17-24)25-18-13-9-14-19-25/h8-9,11-14,16-19,23,27H,2,6-7,10,15,20-21H2,1,3-5H3/t23-/m1/s1.
What are the key properties of (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol?
(2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol has a molecular weight of 410.67 g/mol, XLogP of 5.45, 11 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-1-[tert-butyl(diphenyl)silyl]oxy-4-methylidenenonan-2-ol is sourced from PubChem (CID 23238598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).