methyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate

C18H37NO3Si — CID 10882459

IUPACmethyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate
SMILESCC/C=C/[C@@H](NC(=O)OC)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H37NO3Si/c1-10-11-12-17(19-18(20)21-9)16(8)22-23(13(2)3,14(4)5)15(6)7/h11-17H,10H2,1-9H3,(H,19,20)/b12-11+/t16-,17+/m0/s1
InChIKeyBQUOBMSWWPFMPO-PUENXVRKSA-N
MW343.58 g/mol
LogP5.26
Rot. Bonds9

About methyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate

methyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate (PubChem CID 10882459) has the molecular formula C18H37NO3Si and a molecular weight of 343.58 g/mol. Its IUPAC name is methyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate.

Molecular Properties

Compound Namemethyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate
PubChem CID10882459
Molecular FormulaC18H37NO3Si
Molecular Weight343.58 g/mol
Exact Mass343.25
IUPAC Namemethyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate
SMILESCC/C=C/[C@@H](NC(=O)OC)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C
InChIInChI=1S/C18H37NO3Si/c1-10-11-12-17(19-18(20)21-9)16(8)22-23(13(2)3,14(4)5)15(6)7/h11-17H,10H2,1-9H3,(H,19,20)/b12-11+/t16-,17+/m0/s1
InChIKeyBQUOBMSWWPFMPO-PUENXVRKSA-N
XLogP5.26
TPSA47.56 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500343.58
LogP ≤ 55.26
H-Bond Donors ≤ 51
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

methyl N-[(E,6S)-6-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate
CID 10904030
methyl N-[(E,3S,4S)-1-phenyl-4-trimethylsilyloxypent-1-en-3-yl]carbamate
CID 101242323
methyl 2-methylhex-3-enoate
CID 544076
(2S,3S)-3-tri(propan-2-yl)silyloxybutan-2-ol
CID 11118360
methyl (E)-2-hydroxyhex-3-enoate
CID 122163215
methyl N-[(2R,3R)-3-hydroxy-1-oxobutan-2-yl]carbamate
CID 123686900
N-[(E,2S)-hex-3-en-2-yl]acetamide
CID 134947978
methyl N-[1-(ethylamino)-1-oxopropan-2-yl]carbamate
CID 115575411
ethyl N-[(1S,2R)-1-pyridin-4-yl-2-tri(propan-2-yl)silyloxypropyl]carbamate
CID 56990103
(3S)-3-tri(propan-2-yl)silyloxybutan-2-one
CID 157456186
methyl N-[(E)-pent-2-enoyl]carbamate
CID 11615207
(E)-3,4-dimethyloct-5-enoic acid
CID 155168739

Frequently Asked Questions

What is the IUPAC name of methyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate?
The IUPAC name of methyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate (CID 10882459) is methyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate.
What is the SMILES notation for methyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate?
The canonical SMILES for methyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate is CC/C=C/[C@@H](NC(=O)OC)[C@H](C)O[Si](C(C)C)(C(C)C)C(C)C.
What is the InChIKey of methyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate?
The InChIKey is BQUOBMSWWPFMPO-PUENXVRKSA-N. The full InChI is InChI=1S/C18H37NO3Si/c1-10-11-12-17(19-18(20)21-9)16(8)22-23(13(2)3,14(4)5)15(6)7/h11-17H,10H2,1-9H3,(H,19,20)/b12-11+/t16-,17+/m0/s1.
What are the key properties of methyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate?
methyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate has a molecular weight of 343.58 g/mol, XLogP of 5.26, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl N-[(E,2S,3R)-2-tri(propan-2-yl)silyloxyhept-4-en-3-yl]carbamate is sourced from PubChem (CID 10882459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).