(E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol

C16H34O2Si — CID 135044264

IUPAC(E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol
SMILESCC(C)/C(=C/[C@@H](C)O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-13(2)15(12-14(3)17)10-9-11-18-19(7,8)16(4,5)6/h12-14,17H,9-11H2,1-8H3/b15-12+/t14-/m1/s1
InChIKeyBZJMGZMZRAWYTO-FQZGENGWSA-N
MW286.53 g/mol
LogP4.75
Rot. Bonds7

About (E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol

(E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol (PubChem CID 135044264) has the molecular formula C16H34O2Si and a molecular weight of 286.53 g/mol. Its IUPAC name is (E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol.

Molecular Properties

Compound Name(E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol
PubChem CID135044264
Molecular FormulaC16H34O2Si
Molecular Weight286.53 g/mol
Exact Mass286.23
IUPAC Name(E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol
SMILESCC(C)/C(=C/[C@@H](C)O)CCCO[Si](C)(C)C(C)(C)C
InChIInChI=1S/C16H34O2Si/c1-13(2)15(12-14(3)17)10-9-11-18-19(7,8)16(4,5)6/h12-14,17H,9-11H2,1-8H3/b15-12+/t14-/m1/s1
InChIKeyBZJMGZMZRAWYTO-FQZGENGWSA-N
XLogP4.75
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.53
LogP ≤ 54.75
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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Launch Full Analysis

Related Compounds

(4E)-5-methyl-8-triethylsilyloxy-2-(trimethylsilylmethyl)octa-1,4-dien-3-ol
CID 134832873
(Z,4S,5R,6S)-5,7-bis[[tert-butyl(dimethyl)silyl]oxy]-2,4,6-trimethylhept-2-en-1-ol
CID 10693252
(1R,4R)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11255806
(4E,6S,7Z)-1-[tert-butyl(dimethyl)silyl]oxy-4,6-dimethylnona-4,7-dien-3-ol
CID 11381004
(5S,6S,7E,9E)-5,7,9-trimethyl-6-triethylsilyloxyundeca-7,9-dien-4-ol
CID 11416545
(1S,4S)-4-[(E,3S)-3-[tert-butyl(dimethyl)silyl]oxyoct-1-enyl]cyclopent-2-en-1-ol
CID 11782315
(1E,3S,4S,7Z)-2-[[tert-butyl(dimethyl)silyl]oxymethyl]-1-cyclohexyl-4-methyldeca-1,7-dien-3-ol
CID 14447627
(E,2R,5R,6S)-7-[tert-butyl(dimethyl)silyl]oxy-2,4,6-trimethylhept-3-ene-1,5-diol
CID 14525995
(E,2R,3R)-3-[tert-butyl(dimethyl)silyl]oxy-2,4-dimethylhex-4-en-1-ol
CID 15088744
(1E,4R,5R,6E)-8-[tert-butyl(dimethyl)silyl]oxy-1-iodo-2,5,7-trimethylocta-1,6-dien-4-ol
CID 17755058
(3R,4S,7E,9S)-2,4,8-trimethyl-6-methylidene-9-triethylsilyloxyundeca-1,7-dien-3-ol
CID 23726370
(1R,5S)-2-methyl-5-(2-triethylsilyloxypropan-2-yl)cyclohex-2-en-1-ol
CID 24755010

Frequently Asked Questions

What is the IUPAC name of (E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol?
The IUPAC name of (E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol (CID 135044264) is (E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol.
What is the SMILES notation for (E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol?
The canonical SMILES for (E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol is CC(C)/C(=C/[C@@H](C)O)CCCO[Si](C)(C)C(C)(C)C.
What is the InChIKey of (E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol?
The InChIKey is BZJMGZMZRAWYTO-FQZGENGWSA-N. The full InChI is InChI=1S/C16H34O2Si/c1-13(2)15(12-14(3)17)10-9-11-18-19(7,8)16(4,5)6/h12-14,17H,9-11H2,1-8H3/b15-12+/t14-/m1/s1.
What are the key properties of (E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol?
(E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol has a molecular weight of 286.53 g/mol, XLogP of 4.75, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (E,2R)-7-[tert-butyl(dimethyl)silyl]oxy-4-propan-2-ylhept-3-en-2-ol is sourced from PubChem (CID 135044264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).