1-[(Z)-but-2-en-2-yl]-1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethylurea

C18H30N2OSi — CID 134900985

IUPAC1-[(Z)-but-2-en-2-yl]-1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethylurea
SMILESC/C=C(/C)N(C(=O)N(C)C)C(CC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H30N2OSi/c1-8-15(3)20(18(21)19(4)5)17(9-2)22(6,7)16-13-11-10-12-14-16/h8,10-14,17H,9H2,1-7H3/b15-8-
InChIKeyYCDXXROLARLPHL-NVNXTCNLSA-N
MW318.54 g/mol
LogP3.83
Rot. Bonds5

About 1-[(Z)-but-2-en-2-yl]-1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethylurea

1-[(Z)-but-2-en-2-yl]-1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethylurea (PubChem CID 134900985) has the molecular formula C18H30N2OSi and a molecular weight of 318.54 g/mol. Its IUPAC name is 1-[(Z)-but-2-en-2-yl]-1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethylurea.

Molecular Properties

Compound Name1-[(Z)-but-2-en-2-yl]-1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethylurea
PubChem CID134900985
Molecular FormulaC18H30N2OSi
Molecular Weight318.54 g/mol
Exact Mass318.21
IUPAC Name1-[(Z)-but-2-en-2-yl]-1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethylurea
SMILESC/C=C(/C)N(C(=O)N(C)C)C(CC)[Si](C)(C)c1ccccc1
InChIInChI=1S/C18H30N2OSi/c1-8-15(3)20(18(21)19(4)5)17(9-2)22(6,7)16-13-11-10-12-14-16/h8,10-14,17H,9H2,1-7H3/b15-8-
InChIKeyYCDXXROLARLPHL-NVNXTCNLSA-N
XLogP3.83
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.54
LogP ≤ 53.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Related Compounds

3-[1-[Dimethyl(phenyl)silyl]propyl]-1,1-dimethylurea
CID 86178367
1-[1-[Dimethyl(phenyl)silyl]propyl]-1,3,3-trimethylurea
CID 86178368
CID 57071549
CID 57071549
CID 168127288
CID 168127288
CID 168127289
CID 168127289
CID 168127290
CID 168127290
2-[ethenyl(phenyl)silyl]-1-N,1-N,1-N',1-N'-tetrapropylethane-1,1-diamine
CID 174105607
1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethyl-1-[(E)-prop-1-enyl]urea
CID 10892071

Frequently Asked Questions

What is the IUPAC name of 1-[(Z)-but-2-en-2-yl]-1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethylurea?
The IUPAC name of 1-[(Z)-but-2-en-2-yl]-1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethylurea (CID 134900985) is 1-[(Z)-but-2-en-2-yl]-1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethylurea.
What is the SMILES notation for 1-[(Z)-but-2-en-2-yl]-1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethylurea?
The canonical SMILES for 1-[(Z)-but-2-en-2-yl]-1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethylurea is C/C=C(/C)N(C(=O)N(C)C)C(CC)[Si](C)(C)c1ccccc1.
What is the InChIKey of 1-[(Z)-but-2-en-2-yl]-1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethylurea?
The InChIKey is YCDXXROLARLPHL-NVNXTCNLSA-N. The full InChI is InChI=1S/C18H30N2OSi/c1-8-15(3)20(18(21)19(4)5)17(9-2)22(6,7)16-13-11-10-12-14-16/h8,10-14,17H,9H2,1-7H3/b15-8-.
What are the key properties of 1-[(Z)-but-2-en-2-yl]-1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethylurea?
1-[(Z)-but-2-en-2-yl]-1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethylurea has a molecular weight of 318.54 g/mol, XLogP of 3.83, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(Z)-but-2-en-2-yl]-1-[1-[dimethyl(phenyl)silyl]propyl]-3,3-dimethylurea is sourced from PubChem (CID 134900985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).