(3-butyl-3-chloro-2-methylheptan-2-yl)silane

C12H27ClSi — CID 123537188

IUPAC(3-butyl-3-chloro-2-methylheptan-2-yl)silane
SMILESCCCCC(Cl)(CCCC)C(C)(C)[SiH3]
InChIInChI=1S/C12H27ClSi/c1-5-7-9-12(13,10-8-6-2)11(3,4)14/h5-10H2,1-4,14H3
InChIKeyPPSOEXJROHMOPU-UHFFFAOYSA-N
MW234.89 g/mol
LogP3.91
Rot. Bonds7

About (3-butyl-3-chloro-2-methylheptan-2-yl)silane

(3-butyl-3-chloro-2-methylheptan-2-yl)silane (PubChem CID 123537188) has the molecular formula C12H27ClSi and a molecular weight of 234.89 g/mol. Its IUPAC name is (3-butyl-3-chloro-2-methylheptan-2-yl)silane.

Molecular Properties

Compound Name(3-butyl-3-chloro-2-methylheptan-2-yl)silane
PubChem CID123537188
Molecular FormulaC12H27ClSi
Molecular Weight234.89 g/mol
Exact Mass234.16
IUPAC Name(3-butyl-3-chloro-2-methylheptan-2-yl)silane
SMILESCCCCC(Cl)(CCCC)C(C)(C)[SiH3]
InChIInChI=1S/C12H27ClSi/c1-5-7-9-12(13,10-8-6-2)11(3,4)14/h5-10H2,1-4,14H3
InChIKeyPPSOEXJROHMOPU-UHFFFAOYSA-N
XLogP3.91
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.89
LogP ≤ 53.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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

(4R)-4-chloro-4-methyloctane
CID 129374949
2,2,3,3-tetrachloroheptane
CID 54246303
2-chloro-2-methylhexane;cyclobutane
CID 175373010
1,1-dichlorononadecylsilane
CID 123671605
2,2-dimethylhexane
CID 169424592
2,6-dichloro-2,6-dimethyldecane
CID 139809322
5-chlorononan-5-amine
CID 88596915
5,5-dimethylnonane;bis(2-methylpropan-2-amine)
CID 159841481
1-chloropentane-1,1-diamine
CID 175198933
azane;5-butyl-5-chloro-6-propyldecane
CID 88839354
2-ethoxyhexan-2-ylsilane
CID 150368773
azane;2,2-dimethylhexane
CID 161105081

Frequently Asked Questions

What is the IUPAC name of (3-butyl-3-chloro-2-methylheptan-2-yl)silane?
The IUPAC name of (3-butyl-3-chloro-2-methylheptan-2-yl)silane (CID 123537188) is (3-butyl-3-chloro-2-methylheptan-2-yl)silane.
What is the SMILES notation for (3-butyl-3-chloro-2-methylheptan-2-yl)silane?
The canonical SMILES for (3-butyl-3-chloro-2-methylheptan-2-yl)silane is CCCCC(Cl)(CCCC)C(C)(C)[SiH3].
What is the InChIKey of (3-butyl-3-chloro-2-methylheptan-2-yl)silane?
The InChIKey is PPSOEXJROHMOPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H27ClSi/c1-5-7-9-12(13,10-8-6-2)11(3,4)14/h5-10H2,1-4,14H3.
What are the key properties of (3-butyl-3-chloro-2-methylheptan-2-yl)silane?
(3-butyl-3-chloro-2-methylheptan-2-yl)silane has a molecular weight of 234.89 g/mol, XLogP of 3.91, 7 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butyl-3-chloro-2-methylheptan-2-yl)silane is sourced from PubChem (CID 123537188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).