3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol

C19H29NOSi — CID 174111514

IUPAC3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol
SMILESC=C(O)C(=C)c1cc(CC2CCCCC2)c([Si](C)(C)C)cn1
InChIInChI=1S/C19H29NOSi/c1-14(15(2)21)18-12-17(11-16-9-7-6-8-10-16)19(13-20-18)22(3,4)5/h12-13,16,21H,1-2,6-11H2,3-5H3
InChIKeyORCNAWLSACEOFW-UHFFFAOYSA-N
MW315.53 g/mol
LogP4.83
Rot. Bonds5

About 3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol

3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol (PubChem CID 174111514) has the molecular formula C19H29NOSi and a molecular weight of 315.53 g/mol. Its IUPAC name is 3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol.

Molecular Properties

Compound Name3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol
PubChem CID174111514
Molecular FormulaC19H29NOSi
Molecular Weight315.53 g/mol
Exact Mass315.20
IUPAC Name3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol
SMILESC=C(O)C(=C)c1cc(CC2CCCCC2)c([Si](C)(C)C)cn1
InChIInChI=1S/C19H29NOSi/c1-14(15(2)21)18-12-17(11-16-9-7-6-8-10-16)19(13-20-18)22(3,4)5/h12-13,16,21H,1-2,6-11H2,3-5H3
InChIKeyORCNAWLSACEOFW-UHFFFAOYSA-N
XLogP4.83
TPSA33.12 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.53
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol?
The IUPAC name of 3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol (CID 174111514) is 3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol.
What is the SMILES notation for 3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol?
The canonical SMILES for 3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol is C=C(O)C(=C)c1cc(CC2CCCCC2)c([Si](C)(C)C)cn1.
What is the InChIKey of 3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol?
The InChIKey is ORCNAWLSACEOFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29NOSi/c1-14(15(2)21)18-12-17(11-16-9-7-6-8-10-16)19(13-20-18)22(3,4)5/h12-13,16,21H,1-2,6-11H2,3-5H3.
What are the key properties of 3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol?
3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol has a molecular weight of 315.53 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclohexylmethyl)-5-trimethylsilyl-2-pyridinyl]buta-1,3-dien-2-ol is sourced from PubChem (CID 174111514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).