4-(2-hydroxy-7-trimethylsilyloxyheptyl)cyclopentane-1,3-diol

C15H32O4Si — CID 57004628

IUPAC4-(2-hydroxy-7-trimethylsilyloxyheptyl)cyclopentane-1,3-diol
SMILESC[Si](C)(C)OCCCCCC(O)CC1CC(O)CC1O
InChIInChI=1S/C15H32O4Si/c1-20(2,3)19-8-6-4-5-7-13(16)9-12-10-14(17)11-15(12)18/h12-18H,4-11H2,1-3H3
InChIKeyKNHGRXLICSJZCJ-UHFFFAOYSA-N
MW304.50 g/mol
LogP2.28
Rot. Bonds9

About 4-(2-hydroxy-7-trimethylsilyloxyheptyl)cyclopentane-1,3-diol

4-(2-hydroxy-7-trimethylsilyloxyheptyl)cyclopentane-1,3-diol (PubChem CID 57004628) has the molecular formula C15H32O4Si and a molecular weight of 304.50 g/mol. Its IUPAC name is 4-(2-hydroxy-7-trimethylsilyloxyheptyl)cyclopentane-1,3-diol.

Molecular Properties

Compound Name4-(2-hydroxy-7-trimethylsilyloxyheptyl)cyclopentane-1,3-diol
PubChem CID57004628
Molecular FormulaC15H32O4Si
Molecular Weight304.50 g/mol
Exact Mass304.21
IUPAC Name4-(2-hydroxy-7-trimethylsilyloxyheptyl)cyclopentane-1,3-diol
SMILESC[Si](C)(C)OCCCCCC(O)CC1CC(O)CC1O
InChIInChI=1S/C15H32O4Si/c1-20(2,3)19-8-6-4-5-7-13(16)9-12-10-14(17)11-15(12)18/h12-18H,4-11H2,1-3H3
InChIKeyKNHGRXLICSJZCJ-UHFFFAOYSA-N
XLogP2.28
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.50
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 4-(2-hydroxy-7-trimethylsilyloxyheptyl)cyclopentane-1,3-diol?
The IUPAC name of 4-(2-hydroxy-7-trimethylsilyloxyheptyl)cyclopentane-1,3-diol (CID 57004628) is 4-(2-hydroxy-7-trimethylsilyloxyheptyl)cyclopentane-1,3-diol.
What is the SMILES notation for 4-(2-hydroxy-7-trimethylsilyloxyheptyl)cyclopentane-1,3-diol?
The canonical SMILES for 4-(2-hydroxy-7-trimethylsilyloxyheptyl)cyclopentane-1,3-diol is C[Si](C)(C)OCCCCCC(O)CC1CC(O)CC1O.
What is the InChIKey of 4-(2-hydroxy-7-trimethylsilyloxyheptyl)cyclopentane-1,3-diol?
The InChIKey is KNHGRXLICSJZCJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H32O4Si/c1-20(2,3)19-8-6-4-5-7-13(16)9-12-10-14(17)11-15(12)18/h12-18H,4-11H2,1-3H3.
What are the key properties of 4-(2-hydroxy-7-trimethylsilyloxyheptyl)cyclopentane-1,3-diol?
4-(2-hydroxy-7-trimethylsilyloxyheptyl)cyclopentane-1,3-diol has a molecular weight of 304.50 g/mol, XLogP of 2.28, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-hydroxy-7-trimethylsilyloxyheptyl)cyclopentane-1,3-diol is sourced from PubChem (CID 57004628), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).