[(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid

C18H39NO4Si2 — CID 87421525

IUPAC[(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid
SMILESC=C[C@H](NC(=O)O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H39NO4Si2/c1-12-14(19-16(20)21)15(23-25(10,11)18(5,6)7)13-22-24(8,9)17(2,3)4/h12,14-15,19H,1,13H2,2-11H3,(H,20,21)/t14-,15+/m0/s1
InChIKeyQQLDTXGPWXRVMP-LSDHHAIUSA-N
MW389.69 g/mol
LogP5.22
Rot. Bonds8

About [(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid

[(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid (PubChem CID 87421525) has the molecular formula C18H39NO4Si2 and a molecular weight of 389.69 g/mol. Its IUPAC name is [(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid.

Molecular Properties

Compound Name[(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid
PubChem CID87421525
Molecular FormulaC18H39NO4Si2
Molecular Weight389.69 g/mol
Exact Mass389.24
IUPAC Name[(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid
SMILESC=C[C@H](NC(=O)O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C
InChIInChI=1S/C18H39NO4Si2/c1-12-14(19-16(20)21)15(23-25(10,11)18(5,6)7)13-22-24(8,9)17(2,3)4/h12,14-15,19H,1,13H2,2-11H3,(H,20,21)/t14-,15+/m0/s1
InChIKeyQQLDTXGPWXRVMP-LSDHHAIUSA-N
XLogP5.22
TPSA67.79 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.69
LogP ≤ 55.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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

[(2R,3S)-3,4-bis[[tert-butyl(dimethyl)silyl]oxy]-1-oxobutan-2-yl]carbamic acid
CID 87421528
[1-[tert-butyl(dimethyl)silyl]oxy-3-hydroxypropan-2-yl]carbamic acid
CID 22607409
(5R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-[[tert-butyl(dimethyl)silyl]oxymethyl]non-1-en-3-one
CID 132991371
1-[tert-butyl(dimethyl)silyl]oxyethylcarbamic acid
CID 175475346
[(2R)-1-[tert-butyl(dimethyl)silyl]oxybut-3-en-2-yl] methyl carbonate
CID 102073389
tert-butyl N-[(2S,3S)-1,2-bis[[tert-butyl(dimethyl)silyl]oxy]-4,5-dihydroxypentan-3-yl]carbamate
CID 91455667
methyl (2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-prop-2-enoxypropanoate
CID 140509933
ethyl 3-[[tert-butyl(dimethyl)silyl]oxymethyl]pent-4-enoate
CID 11558121
methyl (E,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-2-enoate
CID 102382081
tert-butyl (2S,4S,5S)-5-acetamido-2-azido-4-[tert-butyl(dimethyl)silyl]oxyhept-6-enoate
CID 14805099
methyl (4S,5S,6S)-5,6,7-tris[[tert-butyl(dimethyl)silyl]oxy]-4-methoxyheptanoate
CID 24828635
[(3R,4R)-4-[tert-butyl(dimethyl)silyl]oxyhexa-1,5-dien-3-yl] ethyl carbonate
CID 53231197

Frequently Asked Questions

What is the IUPAC name of [(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid?
The IUPAC name of [(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid (CID 87421525) is [(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid.
What is the SMILES notation for [(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid?
The canonical SMILES for [(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid is C=C[C@H](NC(=O)O)[C@@H](CO[Si](C)(C)C(C)(C)C)O[Si](C)(C)C(C)(C)C.
What is the InChIKey of [(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid?
The InChIKey is QQLDTXGPWXRVMP-LSDHHAIUSA-N. The full InChI is InChI=1S/C18H39NO4Si2/c1-12-14(19-16(20)21)15(23-25(10,11)18(5,6)7)13-22-24(8,9)17(2,3)4/h12,14-15,19H,1,13H2,2-11H3,(H,20,21)/t14-,15+/m0/s1.
What are the key properties of [(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid?
[(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid has a molecular weight of 389.69 g/mol, XLogP of 5.22, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [(3S,4S)-4,5-bis[[tert-butyl(dimethyl)silyl]oxy]pent-1-en-3-yl]carbamic acid is sourced from PubChem (CID 87421525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).