CID 86743978

C19H35O5Si — CID 86743978

IUPAC—
SMILESC[Si](C)OC[C@]1(C)OC[C@H](C/C=C\CCCC(=O)O)[C@H](C(C)(C)C)O1
InChIInChI=1S/C19H35O5Si/c1-18(2,3)17-15(11-9-7-8-10-12-16(20)21)13-22-19(4,24-17)14-23-25(5)6/h7,9,15,17H,8,10-14H2,1-6H3,(H,20,21)/b9-7-/t15-,17+,19+/m0/s1
InChIKeyHTQYVPLNHVOCPV-JIVLMASGSA-N
MW371.57 g/mol
LogP4.25
Rot. Bonds9

About CID 86743978

CID 86743978 (PubChem CID 86743978) has the molecular formula C19H35O5Si and a molecular weight of 371.57 g/mol.

Molecular Properties

Compound NameCID 86743978
PubChem CID86743978
Molecular FormulaC19H35O5Si
Molecular Weight371.57 g/mol
Exact Mass371.23
IUPAC Name—
SMILESC[Si](C)OC[C@]1(C)OC[C@H](C/C=C\CCCC(=O)O)[C@H](C(C)(C)C)O1
InChIInChI=1S/C19H35O5Si/c1-18(2,3)17-15(11-9-7-8-10-12-16(20)21)13-22-19(4,24-17)14-23-25(5)6/h7,9,15,17H,8,10-14H2,1-6H3,(H,20,21)/b9-7-/t15-,17+,19+/m0/s1
InChIKeyHTQYVPLNHVOCPV-JIVLMASGSA-N
XLogP4.25
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.57
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', '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 CID 86743978?
The IUPAC name of CID 86743978 (CID 86743978) is not available.
What is the SMILES notation for CID 86743978?
The canonical SMILES for CID 86743978 is C[Si](C)OC[C@]1(C)OC[C@H](C/C=C\CCCC(=O)O)[C@H](C(C)(C)C)O1.
What is the InChIKey of CID 86743978?
The InChIKey is HTQYVPLNHVOCPV-JIVLMASGSA-N. The full InChI is InChI=1S/C19H35O5Si/c1-18(2,3)17-15(11-9-7-8-10-12-16(20)21)13-22-19(4,24-17)14-23-25(5)6/h7,9,15,17H,8,10-14H2,1-6H3,(H,20,21)/b9-7-/t15-,17+,19+/m0/s1.
What are the key properties of CID 86743978?
CID 86743978 has a molecular weight of 371.57 g/mol, XLogP of 4.25, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 86743978 is sourced from PubChem (CID 86743978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).