(Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile

C11H21NOSi — CID 135055890

IUPAC(Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile
SMILESC/C=C\[C@](C#N)(CCC)O[Si](C)(C)C
InChIInChI=1S/C11H21NOSi/c1-6-8-11(10-12,9-7-2)13-14(3,4)5/h6,8H,7,9H2,1-5H3/b8-6-/t11-/m1/s1
InChIKeyKCTCNZKJQAGIME-BPOWMSRESA-N
MW211.38 g/mol
LogP3.48
Rot. Bonds5

About (Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile

(Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile (PubChem CID 135055890) has the molecular formula C11H21NOSi and a molecular weight of 211.38 g/mol. Its IUPAC name is (Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile.

Molecular Properties

Compound Name(Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile
PubChem CID135055890
Molecular FormulaC11H21NOSi
Molecular Weight211.38 g/mol
Exact Mass211.14
IUPAC Name(Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile
SMILESC/C=C\[C@](C#N)(CCC)O[Si](C)(C)C
InChIInChI=1S/C11H21NOSi/c1-6-8-11(10-12,9-7-2)13-14(3,4)5/h6,8H,7,9H2,1-5H3/b8-6-/t11-/m1/s1
InChIKeyKCTCNZKJQAGIME-BPOWMSRESA-N
XLogP3.48
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.38
LogP ≤ 53.48
H-Bond Donors ≤ 50
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

2-Cyclohexene-1-carbonitrile, 1-[(trimethylsilyl)oxy]-
CID 11052550
(3E,5E)-2-prop-2-enyl-2-trimethylsilyloxyhepta-3,5-dienenitrile
CID 13705584
(3S)-3-methyl-3-trimethylsilyloxyhept-6-enenitrile
CID 44239377
3-Methyl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 85875415
(E)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile
CID 102194873
(E,2S)-2-methyl-2-trimethylsilyloxyhept-3-enenitrile
CID 129409570
(Z,2R)-2-methyl-2-trimethylsilyloxynon-3-enenitrile
CID 135056615
2-(1-Trimethylsilyloxycyclohexa-2,4-dien-1-yl)acetonitrile
CID 57364526
(2S)-2-[ethyl(dimethyl)silyl]oxy-2,6-dimethylhept-5-enenitrile
CID 148654414
6-Ethyl-1-trimethylsilyloxycyclohexa-2,4-diene-1-carbonitrile
CID 163569741
(E)-2-methyl-2-triethylsilyloxyhept-5-enenitrile
CID 10729578
(1R,5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 11694484

Frequently Asked Questions

What is the IUPAC name of (Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile?
The IUPAC name of (Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile (CID 135055890) is (Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile.
What is the SMILES notation for (Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile?
The canonical SMILES for (Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile is C/C=C\[C@](C#N)(CCC)O[Si](C)(C)C.
What is the InChIKey of (Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile?
The InChIKey is KCTCNZKJQAGIME-BPOWMSRESA-N. The full InChI is InChI=1S/C11H21NOSi/c1-6-8-11(10-12,9-7-2)13-14(3,4)5/h6,8H,7,9H2,1-5H3/b8-6-/t11-/m1/s1.
What are the key properties of (Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile?
(Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile has a molecular weight of 211.38 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile is sourced from PubChem (CID 135055890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).