1-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile

C16H29NOSi — CID 15180237

IUPAC1-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile
SMILESCC(C)[Si](OC1(C#N)C=CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C16H29NOSi/c1-13(2)19(14(3)4,15(5)6)18-16(12-17)10-8-7-9-11-16/h8,10,13-15H,7,9,11H2,1-6H3
InChIKeyMHAYBMQOZACEMX-UHFFFAOYSA-N
MW279.50 g/mol
LogP5.18
Rot. Bonds5

About 1-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile

1-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile (PubChem CID 15180237) has the molecular formula C16H29NOSi and a molecular weight of 279.50 g/mol. Its IUPAC name is 1-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile.

Molecular Properties

Compound Name1-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile
PubChem CID15180237
Molecular FormulaC16H29NOSi
Molecular Weight279.50 g/mol
Exact Mass279.20
IUPAC Name1-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile
SMILESCC(C)[Si](OC1(C#N)C=CCCC1)(C(C)C)C(C)C
InChIInChI=1S/C16H29NOSi/c1-13(2)19(14(3)4,15(5)6)18-16(12-17)10-8-7-9-11-16/h8,10,13-15H,7,9,11H2,1-6H3
InChIKeyMHAYBMQOZACEMX-UHFFFAOYSA-N
XLogP5.18
TPSA33.02 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500279.50
LogP ≤ 55.18
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
3-Methyl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 85875415
(Z,2S)-2-propyl-2-trimethylsilyloxypent-3-enenitrile
CID 135055890
(4Z,8Z)-1-trimethylsilyloxycyclododeca-4,8-diene-1-carbonitrile
CID 141683107
1-Trimethylsilyloxycyclododeca-4,8-diene-1-carbonitrile
CID 153914170
(1S)-1-trimethylsilyloxycyclododeca-4,8-diene-1-carbonitrile
CID 173737534
(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
3-Iodo-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 12162476
2-Methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 13812660
3-Tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile
CID 15180236
(5R)-2-methyl-5-prop-1-en-2-yl-1-trimethylsilyloxycyclohex-2-ene-1-carbonitrile
CID 24851173

Frequently Asked Questions

What is the IUPAC name of 1-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile?
The IUPAC name of 1-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile (CID 15180237) is 1-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile.
What is the SMILES notation for 1-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile?
The canonical SMILES for 1-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile is CC(C)[Si](OC1(C#N)C=CCCC1)(C(C)C)C(C)C.
What is the InChIKey of 1-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile?
The InChIKey is MHAYBMQOZACEMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29NOSi/c1-13(2)19(14(3)4,15(5)6)18-16(12-17)10-8-7-9-11-16/h8,10,13-15H,7,9,11H2,1-6H3.
What are the key properties of 1-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile?
1-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile has a molecular weight of 279.50 g/mol, XLogP of 5.18, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tri(propan-2-yl)silyloxycyclohex-2-ene-1-carbonitrile is sourced from PubChem (CID 15180237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).