(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol

C23H32O2Si — CID 56971432

IUPAC(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
SMILESC=C[C@H](O)CC[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O2Si/c1-6-20(24)18-17-19(2)25-26(23(3,4)5,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h6-16,19-20,24H,1,17-18H2,2-5H3/t19-,20+/m1/s1
InChIKeyYBUCJJTZIRUHPV-UXHICEINSA-N
MW368.59 g/mol
LogP4.28
Rot. Bonds8

About (3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol

(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol (PubChem CID 56971432) has the molecular formula C23H32O2Si and a molecular weight of 368.59 g/mol. Its IUPAC name is (3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol.

Molecular Properties

Compound Name(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
PubChem CID56971432
Molecular FormulaC23H32O2Si
Molecular Weight368.59 g/mol
Exact Mass368.22
IUPAC Name(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol
SMILESC=C[C@H](O)CC[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C
InChIInChI=1S/C23H32O2Si/c1-6-20(24)18-17-19(2)25-26(23(3,4)5,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h6-16,19-20,24H,1,17-18H2,2-5H3/t19-,20+/m1/s1
InChIKeyYBUCJJTZIRUHPV-UXHICEINSA-N
XLogP4.28
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.59
LogP ≤ 54.28
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'}

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Related Compounds

(10R)-10-[tert-butyl(diphenyl)silyl]oxyundec-1-en-6-ol
CID 134834787
(2S,3R)-3-[tert-butyl(diphenyl)silyl]oxypent-4-en-2-ol
CID 102030687
tert-butyl-diphenyl-[(2S)-undec-10-en-2-yl]oxysilane
CID 11988597
(3S)-8-[tert-butyl(diphenyl)silyl]oxyoct-1-en-3-ol
CID 174143208
(2S,4R)-2-[tert-butyl(diphenyl)silyl]oxynon-8-en-4-ol
CID 10992951
tert-butyl-[(2R)-hexan-2-yl]oxy-diphenylsilane
CID 134846417
tert-butyl-[(2S)-5-iodopentan-2-yl]oxy-diphenylsilane
CID 122389486
(2S,3S)-3-[tert-butyl(diphenyl)silyl]oxy-2-methylpent-4-en-1-ol
CID 175160919
(4S)-4-[tert-butyl(diphenyl)silyl]oxypentane-1-sulfonic acid
CID 172708913
(2R,5R)-5-[tert-butyl(diphenyl)silyl]oxy-2-methyl-1-phenylhexan-1-one
CID 122207638
(5S)-5-[tert-butyl(diphenyl)silyl]oxyhexanal
CID 24755231
6-[tert-butyl(diphenyl)silyl]oxy-2-methylhept-2-en-1-ol
CID 70299743

Frequently Asked Questions

What is the IUPAC name of (3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol?
The IUPAC name of (3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol (CID 56971432) is (3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol.
What is the SMILES notation for (3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol?
The canonical SMILES for (3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol is C=C[C@H](O)CC[C@@H](C)O[Si](c1ccccc1)(c1ccccc1)C(C)(C)C.
What is the InChIKey of (3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol?
The InChIKey is YBUCJJTZIRUHPV-UXHICEINSA-N. The full InChI is InChI=1S/C23H32O2Si/c1-6-20(24)18-17-19(2)25-26(23(3,4)5,21-13-9-7-10-14-21)22-15-11-8-12-16-22/h6-16,19-20,24H,1,17-18H2,2-5H3/t19-,20+/m1/s1.
What are the key properties of (3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol?
(3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol has a molecular weight of 368.59 g/mol, XLogP of 4.28, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,6R)-6-[tert-butyl(diphenyl)silyl]oxyhept-1-en-3-ol is sourced from PubChem (CID 56971432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).