CID 87768585

C18H29O2Si — CID 87768585

IUPAC—
SMILESCc1c(O[Si](C)C)cc(C=O)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C18H29O2Si/c1-12-14(20-21(8)9)10-13(11-19)16(18(5,6)7)15(12)17(2,3)4/h10-11H,1-9H3
InChIKeyOSBZXLBWXXZHNU-UHFFFAOYSA-N
MW305.51 g/mol
LogP5.03
Rot. Bonds3

About CID 87768585

CID 87768585 (PubChem CID 87768585) has the molecular formula C18H29O2Si and a molecular weight of 305.51 g/mol.

Molecular Properties

Compound NameCID 87768585
PubChem CID87768585
Molecular FormulaC18H29O2Si
Molecular Weight305.51 g/mol
Exact Mass305.19
IUPAC Name—
SMILESCc1c(O[Si](C)C)cc(C=O)c(C(C)(C)C)c1C(C)(C)C
InChIInChI=1S/C18H29O2Si/c1-12-14(20-21(8)9)10-13(11-19)16(18(5,6)7)15(12)17(2,3)4/h10-11H,1-9H3
InChIKeyOSBZXLBWXXZHNU-UHFFFAOYSA-N
XLogP5.03
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500305.51
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87768585?
The IUPAC name of CID 87768585 (CID 87768585) is not available.
What is the SMILES notation for CID 87768585?
The canonical SMILES for CID 87768585 is Cc1c(O[Si](C)C)cc(C=O)c(C(C)(C)C)c1C(C)(C)C.
What is the InChIKey of CID 87768585?
The InChIKey is OSBZXLBWXXZHNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29O2Si/c1-12-14(20-21(8)9)10-13(11-19)16(18(5,6)7)15(12)17(2,3)4/h10-11H,1-9H3.
What are the key properties of CID 87768585?
CID 87768585 has a molecular weight of 305.51 g/mol, XLogP of 5.03, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87768585 is sourced from PubChem (CID 87768585), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).