(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol

C26H38O2Si — CID 134980373

IUPAC(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol
SMILESC/C(=C/[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](C)CO
InChIInChI=1S/C26H38O2Si/c1-21(17-22(2)19-27)18-23(3)20-28-29(26(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-16,18,22-23,27H,17,19-20H2,1-6H3/b21-18-/t22-,23-/m0/s1
InChIKeyHUJWJZSVFFSXDD-KXLVKCGUSA-N
MW410.67 g/mol
LogP5.16
Rot. Bonds9

About (Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol

(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol (PubChem CID 134980373) has the molecular formula C26H38O2Si and a molecular weight of 410.67 g/mol. Its IUPAC name is (Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol.

Molecular Properties

Compound Name(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol
PubChem CID134980373
Molecular FormulaC26H38O2Si
Molecular Weight410.67 g/mol
Exact Mass410.26
IUPAC Name(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol
SMILESC/C(=C/[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](C)CO
InChIInChI=1S/C26H38O2Si/c1-21(17-22(2)19-27)18-23(3)20-28-29(26(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-16,18,22-23,27H,17,19-20H2,1-6H3/b21-18-/t22-,23-/m0/s1
InChIKeyHUJWJZSVFFSXDD-KXLVKCGUSA-N
XLogP5.16
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.67
LogP ≤ 55.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(E,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-enoic acid
CID 16726667
(2R)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpropan-1-ol
CID 11771817
(E,2R)-7-[tert-butyl(diphenyl)silyl]oxy-2,4-dimethylhept-4-en-1-ol
CID 24773167
[(Z)-4-bromo-4-fluoro-2-methylbut-3-enoxy]-tert-butyl-diphenylsilane
CID 23237174
(2S,4R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methylpentane-1,4-diol
CID 11783644
(2R,4S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylheptan-1-ol
CID 132558516
[(Z,2S)-4-(bromomethyl)-2-methylhex-3-enoxy]-tert-butyl-diphenylsilane
CID 11374218
(3S)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-1-en-1-one
CID 87903767
(2S,3R)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbutane-1,2-diol
CID 10904444
(2R)-2-amino-3-[tert-butyl(diphenyl)silyl]oxypropan-1-ol
CID 129407863
(2R,5R)-1,6-bis[[tert-butyl(diphenyl)silyl]oxy]hexane-2,5-diol
CID 10746539
(E)-4-[tert-butyl(diphenyl)silyl]oxy-3-methylbut-2-en-1-ol
CID 46192380

Frequently Asked Questions

What is the IUPAC name of (Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol?
The IUPAC name of (Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol (CID 134980373) is (Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol.
What is the SMILES notation for (Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol?
The canonical SMILES for (Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol is C/C(=C/[C@H](C)CO[Si](c1ccccc1)(c1ccccc1)C(C)(C)C)C[C@H](C)CO.
What is the InChIKey of (Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol?
The InChIKey is HUJWJZSVFFSXDD-KXLVKCGUSA-N. The full InChI is InChI=1S/C26H38O2Si/c1-21(17-22(2)19-27)18-23(3)20-28-29(26(4,5)6,24-13-9-7-10-14-24)25-15-11-8-12-16-25/h7-16,18,22-23,27H,17,19-20H2,1-6H3/b21-18-/t22-,23-/m0/s1.
What are the key properties of (Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol?
(Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol has a molecular weight of 410.67 g/mol, XLogP of 5.16, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S,6S)-7-[tert-butyl(diphenyl)silyl]oxy-2,4,6-trimethylhept-4-en-1-ol is sourced from PubChem (CID 134980373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).