(6-chloro-4-propyloctan-4-yl)oxysilane

C11H25ClOSi — CID 175576062

IUPAC(6-chloro-4-propyloctan-4-yl)oxysilane
SMILESCCCC(CCC)(CC(Cl)CC)O[SiH3]
InChIInChI=1S/C11H25ClOSi/c1-4-7-11(13-14,8-5-2)9-10(12)6-3/h10H,4-9H2,1-3,14H3
InChIKeyPJKSCQMUVAFTGD-UHFFFAOYSA-N
MW236.86 g/mol
LogP3.03
Rot. Bonds8

About (6-chloro-4-propyloctan-4-yl)oxysilane

(6-chloro-4-propyloctan-4-yl)oxysilane (PubChem CID 175576062) has the molecular formula C11H25ClOSi and a molecular weight of 236.86 g/mol. Its IUPAC name is (6-chloro-4-propyloctan-4-yl)oxysilane.

Molecular Properties

Compound Name(6-chloro-4-propyloctan-4-yl)oxysilane
PubChem CID175576062
Molecular FormulaC11H25ClOSi
Molecular Weight236.86 g/mol
Exact Mass236.14
IUPAC Name(6-chloro-4-propyloctan-4-yl)oxysilane
SMILESCCCC(CCC)(CC(Cl)CC)O[SiH3]
InChIInChI=1S/C11H25ClOSi/c1-4-7-11(13-14,8-5-2)9-10(12)6-3/h10H,4-9H2,1-3,14H3
InChIKeyPJKSCQMUVAFTGD-UHFFFAOYSA-N
XLogP3.03
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.86
LogP ≤ 53.03
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

(2,6-dimethyl-4-propylheptan-4-yl)oxysilane
CID 123437790
1,1,1,3-tetrachloropentane
CID 13227610
2,4-dichloro-2-methylhexane
CID 15570353
14-tridecyloctacosan-14-yloxysilane
CID 173060340
17-hexadecyltetratriacontan-17-yloxysilane
CID 173060502
(2-methyl-3-propan-2-ylhexan-3-yl)oxysilane
CID 174484233
3-(chloromethyl)pentan-3-yloxysilane
CID 123715774
(4-methyl-4-propylheptan-3-yl)oxysilane
CID 173101567
5-chloro-2,2-dimethylheptane
CID 64506638
11-propyl-11-(11-propylhenicosan-11-ylperoxy)henicosane
CID 155668142
3,5,7,9-tetrachloroundecane
CID 20749072
3,5,7-trichlorononane
CID 86070462

Frequently Asked Questions

What is the IUPAC name of (6-chloro-4-propyloctan-4-yl)oxysilane?
The IUPAC name of (6-chloro-4-propyloctan-4-yl)oxysilane (CID 175576062) is (6-chloro-4-propyloctan-4-yl)oxysilane.
What is the SMILES notation for (6-chloro-4-propyloctan-4-yl)oxysilane?
The canonical SMILES for (6-chloro-4-propyloctan-4-yl)oxysilane is CCCC(CCC)(CC(Cl)CC)O[SiH3].
What is the InChIKey of (6-chloro-4-propyloctan-4-yl)oxysilane?
The InChIKey is PJKSCQMUVAFTGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H25ClOSi/c1-4-7-11(13-14,8-5-2)9-10(12)6-3/h10H,4-9H2,1-3,14H3.
What are the key properties of (6-chloro-4-propyloctan-4-yl)oxysilane?
(6-chloro-4-propyloctan-4-yl)oxysilane has a molecular weight of 236.86 g/mol, XLogP of 3.03, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloro-4-propyloctan-4-yl)oxysilane is sourced from PubChem (CID 175576062), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).