2-[ethenyl-bis(2-hydroxycyclohexyl)silyl]cyclohexan-1-ol

C20H36O3Si — CID 57177978

IUPAC2-[ethenyl-bis(2-hydroxycyclohexyl)silyl]cyclohexan-1-ol
SMILESC=C[Si](C1CCCCC1O)(C1CCCCC1O)C1CCCCC1O
InChIInChI=1S/C20H36O3Si/c1-2-24(18-12-6-3-9-15(18)21,19-13-7-4-10-16(19)22)20-14-8-5-11-17(20)23/h2,15-23H,1,3-14H2
InChIKeyFDGKAMOKPCQDRE-UHFFFAOYSA-N
MW352.59 g/mol
LogP4.08
Rot. Bonds4

About 2-[ethenyl-bis(2-hydroxycyclohexyl)silyl]cyclohexan-1-ol

2-[ethenyl-bis(2-hydroxycyclohexyl)silyl]cyclohexan-1-ol (PubChem CID 57177978) has the molecular formula C20H36O3Si and a molecular weight of 352.59 g/mol. Its IUPAC name is 2-[ethenyl-bis(2-hydroxycyclohexyl)silyl]cyclohexan-1-ol.

Molecular Properties

Compound Name2-[ethenyl-bis(2-hydroxycyclohexyl)silyl]cyclohexan-1-ol
PubChem CID57177978
Molecular FormulaC20H36O3Si
Molecular Weight352.59 g/mol
Exact Mass352.24
IUPAC Name2-[ethenyl-bis(2-hydroxycyclohexyl)silyl]cyclohexan-1-ol
SMILESC=C[Si](C1CCCCC1O)(C1CCCCC1O)C1CCCCC1O
InChIInChI=1S/C20H36O3Si/c1-2-24(18-12-6-3-9-15(18)21,19-13-7-4-10-16(19)22)20-14-8-5-11-17(20)23/h2,15-23H,1,3-14H2
InChIKeyFDGKAMOKPCQDRE-UHFFFAOYSA-N
XLogP4.08
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.59
LogP ≤ 54.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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 2-[ethenyl-bis(2-hydroxycyclohexyl)silyl]cyclohexan-1-ol?
The IUPAC name of 2-[ethenyl-bis(2-hydroxycyclohexyl)silyl]cyclohexan-1-ol (CID 57177978) is 2-[ethenyl-bis(2-hydroxycyclohexyl)silyl]cyclohexan-1-ol.
What is the SMILES notation for 2-[ethenyl-bis(2-hydroxycyclohexyl)silyl]cyclohexan-1-ol?
The canonical SMILES for 2-[ethenyl-bis(2-hydroxycyclohexyl)silyl]cyclohexan-1-ol is C=C[Si](C1CCCCC1O)(C1CCCCC1O)C1CCCCC1O.
What is the InChIKey of 2-[ethenyl-bis(2-hydroxycyclohexyl)silyl]cyclohexan-1-ol?
The InChIKey is FDGKAMOKPCQDRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H36O3Si/c1-2-24(18-12-6-3-9-15(18)21,19-13-7-4-10-16(19)22)20-14-8-5-11-17(20)23/h2,15-23H,1,3-14H2.
What are the key properties of 2-[ethenyl-bis(2-hydroxycyclohexyl)silyl]cyclohexan-1-ol?
2-[ethenyl-bis(2-hydroxycyclohexyl)silyl]cyclohexan-1-ol has a molecular weight of 352.59 g/mol, XLogP of 4.08, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethenyl-bis(2-hydroxycyclohexyl)silyl]cyclohexan-1-ol is sourced from PubChem (CID 57177978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).