(1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane

C19H32O4Si2 — CID 176819369

IUPAC(1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane
SMILESC#CC1(O[Si](C)(O)C[Si](C)(O)OC2(C#C)CCCCC2)CCCCC1
InChIInChI=1S/C19H32O4Si2/c1-5-18(13-9-7-10-14-18)22-24(3,20)17-25(4,21)23-19(6-2)15-11-8-12-16-19/h1-2,20-21H,7-17H2,3-4H3
InChIKeyHZPQUXIMCBNIQS-UHFFFAOYSA-N
MW380.63 g/mol
LogP3.36
Rot. Bonds6

About (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane

(1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane (PubChem CID 176819369) has the molecular formula C19H32O4Si2 and a molecular weight of 380.63 g/mol. Its IUPAC name is (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane.

Molecular Properties

Compound Name(1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane
PubChem CID176819369
Molecular FormulaC19H32O4Si2
Molecular Weight380.63 g/mol
Exact Mass380.18
IUPAC Name(1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane
SMILESC#CC1(O[Si](C)(O)C[Si](C)(O)OC2(C#C)CCCCC2)CCCCC1
InChIInChI=1S/C19H32O4Si2/c1-5-18(13-9-7-10-14-18)22-24(3,20)17-25(4,21)23-19(6-2)15-11-8-12-16-19/h1-2,20-21H,7-17H2,3-4H3
InChIKeyHZPQUXIMCBNIQS-UHFFFAOYSA-N
XLogP3.36
TPSA58.92 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.63
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane?
The IUPAC name of (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane (CID 176819369) is (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane.
What is the SMILES notation for (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane?
The canonical SMILES for (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane is C#CC1(O[Si](C)(O)C[Si](C)(O)OC2(C#C)CCCCC2)CCCCC1.
What is the InChIKey of (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane?
The InChIKey is HZPQUXIMCBNIQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H32O4Si2/c1-5-18(13-9-7-10-14-18)22-24(3,20)17-25(4,21)23-19(6-2)15-11-8-12-16-19/h1-2,20-21H,7-17H2,3-4H3.
What are the key properties of (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane?
(1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane has a molecular weight of 380.63 g/mol, XLogP of 3.36, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethynylcyclohexyl)oxy-[[(1-ethynylcyclohexyl)oxy-hydroxy-methylsilyl]methyl]-hydroxy-methylsilane is sourced from PubChem (CID 176819369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).