2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal

C19H30OSi — CID 177499840

IUPAC2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal
SMILESC=C(CCC)C(C=O)(CCC)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H30OSi/c1-6-11-17(3)19(15-20,14-7-2)16-21(4,5)18-12-9-8-10-13-18/h8-10,12-13,15H,3,6-7,11,14,16H2,1-2,4-5H3
InChIKeyKIRZIBRQAKPEKF-UHFFFAOYSA-N
MW302.53 g/mol
LogP4.94
Rot. Bonds9

About 2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal

2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal (PubChem CID 177499840) has the molecular formula C19H30OSi and a molecular weight of 302.53 g/mol. Its IUPAC name is 2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal.

Molecular Properties

Compound Name2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal
PubChem CID177499840
Molecular FormulaC19H30OSi
Molecular Weight302.53 g/mol
Exact Mass302.21
IUPAC Name2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal
SMILESC=C(CCC)C(C=O)(CCC)C[Si](C)(C)c1ccccc1
InChIInChI=1S/C19H30OSi/c1-6-11-17(3)19(15-20,14-7-2)16-21(4,5)18-12-9-8-10-13-18/h8-10,12-13,15H,3,6-7,11,14,16H2,1-2,4-5H3
InChIKeyKIRZIBRQAKPEKF-UHFFFAOYSA-N
XLogP4.94
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.53
LogP ≤ 54.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal?
The IUPAC name of 2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal (CID 177499840) is 2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal.
What is the SMILES notation for 2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal?
The canonical SMILES for 2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal is C=C(CCC)C(C=O)(CCC)C[Si](C)(C)c1ccccc1.
What is the InChIKey of 2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal?
The InChIKey is KIRZIBRQAKPEKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30OSi/c1-6-11-17(3)19(15-20,14-7-2)16-21(4,5)18-12-9-8-10-13-18/h8-10,12-13,15H,3,6-7,11,14,16H2,1-2,4-5H3.
What are the key properties of 2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal?
2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal has a molecular weight of 302.53 g/mol, XLogP of 4.94, 9 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[dimethyl(phenyl)silyl]methyl]-3-methylidene-2-propylhexanal is sourced from PubChem (CID 177499840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).