CID 23630539

C18H27O2Si — CID 23630539

IUPAC—
SMILESC[C@H](CC#C[C@@H](C)CO[Si](C)C)COCc1ccccc1
InChIInChI=1S/C18H27O2Si/c1-16(9-8-10-17(2)14-20-21(3)4)13-19-15-18-11-6-5-7-12-18/h5-7,11-12,16-17H,9,13-15H2,1-4H3/t16-,17-/m1/s1
InChIKeyXKZBNEMYZDDQHP-IAGOWNOFSA-N
MW303.50 g/mol
LogP4.14
Rot. Bonds8

About CID 23630539

CID 23630539 (PubChem CID 23630539) has the molecular formula C18H27O2Si and a molecular weight of 303.50 g/mol.

Molecular Properties

Compound NameCID 23630539
PubChem CID23630539
Molecular FormulaC18H27O2Si
Molecular Weight303.50 g/mol
Exact Mass303.18
IUPAC Name—
SMILESC[C@H](CC#C[C@@H](C)CO[Si](C)C)COCc1ccccc1
InChIInChI=1S/C18H27O2Si/c1-16(9-8-10-17(2)14-20-21(3)4)13-19-15-18-11-6-5-7-12-18/h5-7,11-12,16-17H,9,13-15H2,1-4H3/t16-,17-/m1/s1
InChIKeyXKZBNEMYZDDQHP-IAGOWNOFSA-N
XLogP4.14
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.50
LogP ≤ 54.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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(2S)-1-phenylmethoxyhex-4-yn-2-ol
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(2S,4R,6S)-2,4,6-trimethyl-7-phenylmethoxyheptan-1-ol
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methanol;2-methylpropoxymethanol;2-methylpropoxymethylbenzene
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1-phenylmethoxyhex-4-yn-2-ylhydrazine
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Frequently Asked Questions

What is the IUPAC name of CID 23630539?
The IUPAC name of CID 23630539 (CID 23630539) is not available.
What is the SMILES notation for CID 23630539?
The canonical SMILES for CID 23630539 is C[C@H](CC#C[C@@H](C)CO[Si](C)C)COCc1ccccc1.
What is the InChIKey of CID 23630539?
The InChIKey is XKZBNEMYZDDQHP-IAGOWNOFSA-N. The full InChI is InChI=1S/C18H27O2Si/c1-16(9-8-10-17(2)14-20-21(3)4)13-19-15-18-11-6-5-7-12-18/h5-7,11-12,16-17H,9,13-15H2,1-4H3/t16-,17-/m1/s1.
What are the key properties of CID 23630539?
CID 23630539 has a molecular weight of 303.50 g/mol, XLogP of 4.14, 8 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for CID 23630539 is sourced from PubChem (CID 23630539), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).