CID 87921046

C18H35OSi — CID 87921046

IUPAC—
SMILESC[Si](C)O/C1=C/CCC(C(C)(C)C)CCCCCCC1
InChIInChI=1S/C18H35OSi/c1-18(2,3)16-12-9-7-6-8-10-14-17(15-11-13-16)19-20(4)5/h15-16H,6-14H2,1-5H3/b17-15+
InChIKeyCYERFJBKFUGCSD-BMRADRMJSA-N
MW295.56 g/mol
LogP6.32
Rot. Bonds2

About CID 87921046

CID 87921046 (PubChem CID 87921046) has the molecular formula C18H35OSi and a molecular weight of 295.56 g/mol.

Molecular Properties

Compound NameCID 87921046
PubChem CID87921046
Molecular FormulaC18H35OSi
Molecular Weight295.56 g/mol
Exact Mass295.25
IUPAC Name—
SMILESC[Si](C)O/C1=C/CCC(C(C)(C)C)CCCCCCC1
InChIInChI=1S/C18H35OSi/c1-18(2,3)16-12-9-7-6-8-10-14-17(15-11-13-16)19-20(4)5/h15-16H,6-14H2,1-5H3/b17-15+
InChIKeyCYERFJBKFUGCSD-BMRADRMJSA-N
XLogP6.32
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500295.56
LogP ≤ 56.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of CID 87921046?
The IUPAC name of CID 87921046 (CID 87921046) is not available.
What is the SMILES notation for CID 87921046?
The canonical SMILES for CID 87921046 is C[Si](C)O/C1=C/CCC(C(C)(C)C)CCCCCCC1.
What is the InChIKey of CID 87921046?
The InChIKey is CYERFJBKFUGCSD-BMRADRMJSA-N. The full InChI is InChI=1S/C18H35OSi/c1-18(2,3)16-12-9-7-6-8-10-14-17(15-11-13-16)19-20(4)5/h15-16H,6-14H2,1-5H3/b17-15+.
What are the key properties of CID 87921046?
CID 87921046 has a molecular weight of 295.56 g/mol, XLogP of 6.32, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for CID 87921046 is sourced from PubChem (CID 87921046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).