(3R)-1-tri(propan-2-yl)silyloxyhex-5-en-3-ol

C15H32O2Si — CID 135040500

IUPAC(3R)-1-tri(propan-2-yl)silyloxyhex-5-en-3-ol
SMILESC=CC[C@@H](O)CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-8-9-15(16)10-11-17-18(12(2)3,13(4)5)14(6)7/h8,12-16H,1,9-11H2,2-7H3/t15-/m1/s1
InChIKeyYZEVUYULGROZRN-OAHLLOKOSA-N
MW272.50 g/mol
LogP4.51
Rot. Bonds9

About (3R)-1-tri(propan-2-yl)silyloxyhex-5-en-3-ol

(3R)-1-tri(propan-2-yl)silyloxyhex-5-en-3-ol (PubChem CID 135040500) has the molecular formula C15H32O2Si and a molecular weight of 272.50 g/mol. Its IUPAC name is (3R)-1-tri(propan-2-yl)silyloxyhex-5-en-3-ol.

Molecular Properties

Compound Name(3R)-1-tri(propan-2-yl)silyloxyhex-5-en-3-ol
PubChem CID135040500
Molecular FormulaC15H32O2Si
Molecular Weight272.50 g/mol
Exact Mass272.22
IUPAC Name(3R)-1-tri(propan-2-yl)silyloxyhex-5-en-3-ol
SMILESC=CC[C@@H](O)CCO[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C15H32O2Si/c1-8-9-15(16)10-11-17-18(12(2)3,13(4)5)14(6)7/h8,12-16H,1,9-11H2,2-7H3/t15-/m1/s1
InChIKeyYZEVUYULGROZRN-OAHLLOKOSA-N
XLogP4.51
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.50
LogP ≤ 54.51
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

3-[Tert-butyl(dimethyl)silyl]oxypent-4-en-1-ol
CID 17795838
(4S,6R)-6-[tert-butyl(dimethyl)silyl]oxyhept-1-en-4-ol
CID 11715728
(4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523917
(4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-5-methylhept-1-en-4-ol
CID 13523918
(3S,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 13523927
3-[Tert-butyl(dimethyl)silyl]oxyhex-5-en-1-ol
CID 85798469
(3S,4R,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993137
(3R,4S,5R,6S)-6-[tert-butyl(dimethyl)silyl]oxy-3,5-dimethylhept-1-en-4-ol
CID 134993187
(3S)-3-[tert-butyl(dimethyl)silyl]oxynona-1,8-dien-5-ol
CID 168266624
5-Hexen-3-ol, 1-[[(1,1-dimethylethyl)dimethylsilyl]oxy]-
CID 10988080
(3S,4R)-1-[tert-butyl(dimethyl)silyl]oxy-4-methylhex-5-en-3-ol
CID 10999289
(2S)-1-[tert-butyl(dimethyl)silyl]oxypent-4-en-2-ol
CID 11148647

Frequently Asked Questions

What is the IUPAC name of (3R)-1-tri(propan-2-yl)silyloxyhex-5-en-3-ol?
The IUPAC name of (3R)-1-tri(propan-2-yl)silyloxyhex-5-en-3-ol (CID 135040500) is (3R)-1-tri(propan-2-yl)silyloxyhex-5-en-3-ol.
What is the SMILES notation for (3R)-1-tri(propan-2-yl)silyloxyhex-5-en-3-ol?
The canonical SMILES for (3R)-1-tri(propan-2-yl)silyloxyhex-5-en-3-ol is C=CC[C@@H](O)CCO[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of (3R)-1-tri(propan-2-yl)silyloxyhex-5-en-3-ol?
The InChIKey is YZEVUYULGROZRN-OAHLLOKOSA-N. The full InChI is InChI=1S/C15H32O2Si/c1-8-9-15(16)10-11-17-18(12(2)3,13(4)5)14(6)7/h8,12-16H,1,9-11H2,2-7H3/t15-/m1/s1.
What are the key properties of (3R)-1-tri(propan-2-yl)silyloxyhex-5-en-3-ol?
(3R)-1-tri(propan-2-yl)silyloxyhex-5-en-3-ol has a molecular weight of 272.50 g/mol, XLogP of 4.51, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-1-tri(propan-2-yl)silyloxyhex-5-en-3-ol is sourced from PubChem (CID 135040500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).