chloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane

C18H39ClO3Si — CID 124630587

IUPACchloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane
SMILESCC(C)C[C@@H](C)O[Si](Cl)(O[C@@H](C)CC(C)C)O[C@@H](C)CC(C)C
InChIInChI=1S/C18H39ClO3Si/c1-13(2)10-16(7)20-23(19,21-17(8)11-14(3)4)22-18(9)12-15(5)6/h13-18H,10-12H2,1-9H3/t16-,17-,18+/m0/s1
InChIKeyLMCRSIJHQZQEBM-OKZBNKHCSA-N
MW367.05 g/mol
LogP6.01
Rot. Bonds12

About chloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane

chloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane (PubChem CID 124630587) has the molecular formula C18H39ClO3Si and a molecular weight of 367.05 g/mol. Its IUPAC name is chloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane.

Molecular Properties

Compound Namechloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane
PubChem CID124630587
Molecular FormulaC18H39ClO3Si
Molecular Weight367.05 g/mol
Exact Mass366.24
IUPAC Namechloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane
SMILESCC(C)C[C@@H](C)O[Si](Cl)(O[C@@H](C)CC(C)C)O[C@@H](C)CC(C)C
InChIInChI=1S/C18H39ClO3Si/c1-13(2)10-16(7)20-23(19,21-17(8)11-14(3)4)22-18(9)12-15(5)6/h13-18H,10-12H2,1-9H3/t16-,17-,18+/m0/s1
InChIKeyLMCRSIJHQZQEBM-OKZBNKHCSA-N
XLogP6.01
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds12
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.05
LogP ≤ 56.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

dimethyl-bis(4-methylpentan-2-yloxy)silane
CID 91733276
[hydroxy-bis(4-methylpentan-2-yloxy)silyl] tris(4-methylpentan-2-yl) silicate
CID 160843506
trimethyl-[(2R,4R)-4-trimethylsilyloxypentan-2-yl]oxysilane
CID 11139503
(4S)-2-methyl-4-propan-2-yloxypentane
CID 155647514
di(butan-2-yloxy)-chloro-trimethylsilyloxysilane
CID 13033730
2-chlorosulfonyloxy-4-methylpentane
CID 119097605
[(2S)-4-methylpentan-2-yl] carbonochloridate
CID 92951159
ethenyl-ethoxy-methyl-(4-methylpentan-2-yloxy)silane
CID 91723235
2,4-dimethylpentane
CID 157050020
diethyl-(4-methylpentan-2-yloxy)-octadecoxysilane
CID 91745192
silane;tributan-2-yl [chloro-tri(butan-2-yloxy)silyloxymethyl] silicate
CID 173439858
azanium bis(4-methylpentan-2-yloxy)-sulfanylidene-sulfido-λ5-phosphane
CID 163360675

Frequently Asked Questions

What is the IUPAC name of chloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane?
The IUPAC name of chloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane (CID 124630587) is chloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane.
What is the SMILES notation for chloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane?
The canonical SMILES for chloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane is CC(C)C[C@@H](C)O[Si](Cl)(O[C@@H](C)CC(C)C)O[C@@H](C)CC(C)C.
What is the InChIKey of chloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane?
The InChIKey is LMCRSIJHQZQEBM-OKZBNKHCSA-N. The full InChI is InChI=1S/C18H39ClO3Si/c1-13(2)10-16(7)20-23(19,21-17(8)11-14(3)4)22-18(9)12-15(5)6/h13-18H,10-12H2,1-9H3/t16-,17-,18+/m0/s1.
What are the key properties of chloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane?
chloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane has a molecular weight of 367.05 g/mol, XLogP of 6.01, 12 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for chloro-[(2R)-4-methylpentan-2-yl]oxy-bis[[(2S)-4-methylpentan-2-yl]oxy]silane is sourced from PubChem (CID 124630587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).