(1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane

C9H21ClOSi — CID 173121476

IUPAC(1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane
SMILESCC(C)C(CCCl)(O[SiH3])C(C)C
InChIInChI=1S/C9H21ClOSi/c1-7(2)9(11-12,5-6-10)8(3)4/h7-8H,5-6H2,1-4,12H3
InChIKeyLWKHOEMYNQZWDP-UHFFFAOYSA-N
MW208.80 g/mol
LogP1.96
Rot. Bonds5

About (1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane

(1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane (PubChem CID 173121476) has the molecular formula C9H21ClOSi and a molecular weight of 208.80 g/mol. Its IUPAC name is (1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane.

Molecular Properties

Compound Name(1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane
PubChem CID173121476
Molecular FormulaC9H21ClOSi
Molecular Weight208.80 g/mol
Exact Mass208.11
IUPAC Name(1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane
SMILESCC(C)C(CCCl)(O[SiH3])C(C)C
InChIInChI=1S/C9H21ClOSi/c1-7(2)9(11-12,5-6-10)8(3)4/h7-8H,5-6H2,1-4,12H3
InChIKeyLWKHOEMYNQZWDP-UHFFFAOYSA-N
XLogP1.96
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.80
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(2-methyl-3-propan-2-ylhexan-3-yl)oxysilane
CID 174484233
N'-(6-methyl-5-propan-2-yl-5-silyloxyheptyl)hexane-1,6-diamine
CID 175179221
(6-chloro-2,5-dimethylhexan-2-yl)oxysilane
CID 173078768
2-[2-[2-[2-[2-[2-[2-(3-methyl-2-propan-2-yl-2-silyloxybutoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 173050272
CID 23146675
CID 23146675
3-ethyl-3-methoxy-2,4-dimethylpentane
CID 23384912
3-methoxy-3-(methoxymethyl)-2,4-dimethylpentane
CID 23384967
2-methyl-3-(2-methyl-3-propan-2-ylnonan-3-yl)oxy-3-propan-2-ylnonane
CID 122422564
1-chloro-5-methoxy-3,3-dimethylhexane
CID 129235337
1-chloropropan-2-yloxysilane
CID 173192106
1-chloro-6-methyl-6-(3-methylbutoxy)heptane
CID 170630353
13-chloro-1,1,1-trimethoxytridecane
CID 150619368

Frequently Asked Questions

What is the IUPAC name of (1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane?
The IUPAC name of (1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane (CID 173121476) is (1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane.
What is the SMILES notation for (1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane?
The canonical SMILES for (1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane is CC(C)C(CCCl)(O[SiH3])C(C)C.
What is the InChIKey of (1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane?
The InChIKey is LWKHOEMYNQZWDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H21ClOSi/c1-7(2)9(11-12,5-6-10)8(3)4/h7-8H,5-6H2,1-4,12H3.
What are the key properties of (1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane?
(1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane has a molecular weight of 208.80 g/mol, XLogP of 1.96, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1-chloro-4-methyl-3-propan-2-ylpentan-3-yl)oxysilane is sourced from PubChem (CID 173121476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).