(3-butan-2-yl-2-methylheptan-2-yl)oxysilane

C12H28OSi — CID 174476701

IUPAC(3-butan-2-yl-2-methylheptan-2-yl)oxysilane
SMILESCCCCC(C(C)CC)C(C)(C)O[SiH3]
InChIInChI=1S/C12H28OSi/c1-6-8-9-11(10(3)7-2)12(4,5)13-14/h10-11H,6-9H2,1-5,14H3
InChIKeyPGIYAMUNUCTDSF-UHFFFAOYSA-N
MW216.44 g/mol
LogP2.91
Rot. Bonds7

About (3-butan-2-yl-2-methylheptan-2-yl)oxysilane

(3-butan-2-yl-2-methylheptan-2-yl)oxysilane (PubChem CID 174476701) has the molecular formula C12H28OSi and a molecular weight of 216.44 g/mol. Its IUPAC name is (3-butan-2-yl-2-methylheptan-2-yl)oxysilane.

Molecular Properties

Compound Name(3-butan-2-yl-2-methylheptan-2-yl)oxysilane
PubChem CID174476701
Molecular FormulaC12H28OSi
Molecular Weight216.44 g/mol
Exact Mass216.19
IUPAC Name(3-butan-2-yl-2-methylheptan-2-yl)oxysilane
SMILESCCCCC(C(C)CC)C(C)(C)O[SiH3]
InChIInChI=1S/C12H28OSi/c1-6-8-9-11(10(3)7-2)12(4,5)13-14/h10-11H,6-9H2,1-5,14H3
InChIKeyPGIYAMUNUCTDSF-UHFFFAOYSA-N
XLogP2.91
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.44
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3-ethyl-2-methylheptan-2-yl)oxysilane
CID 172694489
4-fluoro-3-methyloctane
CID 89416555
4-ethyl-5-methyl-5-silyloxyhexane-1-thiol
CID 174107415
2,4,4,6-tetramethyl-5-propyloctane
CID 123721040
2-methylicosan-2-yloxysilane
CID 173002328
2-methyl-2-silyloxypentane-3-thiol
CID 173157471
5-ethyl-3,4,5-trimethyl-6-propan-2-yltridecane
CID 123414725
3-tert-butylheptane-2-sulfonic acid
CID 142743562
6-(3,3-dimethylbutan-2-yl)-3,4-dimethyldecane
CID 123656705
dibutyl-ethyl-methylphosphanium
CID 58444360
4-butan-2-yl-5-tert-butyl-5,7-diethyl-2-methylundecane
CID 91527902
3-ethyl-2,2-dimethylheptane
CID 20686447

Frequently Asked Questions

What is the IUPAC name of (3-butan-2-yl-2-methylheptan-2-yl)oxysilane?
The IUPAC name of (3-butan-2-yl-2-methylheptan-2-yl)oxysilane (CID 174476701) is (3-butan-2-yl-2-methylheptan-2-yl)oxysilane.
What is the SMILES notation for (3-butan-2-yl-2-methylheptan-2-yl)oxysilane?
The canonical SMILES for (3-butan-2-yl-2-methylheptan-2-yl)oxysilane is CCCCC(C(C)CC)C(C)(C)O[SiH3].
What is the InChIKey of (3-butan-2-yl-2-methylheptan-2-yl)oxysilane?
The InChIKey is PGIYAMUNUCTDSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H28OSi/c1-6-8-9-11(10(3)7-2)12(4,5)13-14/h10-11H,6-9H2,1-5,14H3.
What are the key properties of (3-butan-2-yl-2-methylheptan-2-yl)oxysilane?
(3-butan-2-yl-2-methylheptan-2-yl)oxysilane has a molecular weight of 216.44 g/mol, XLogP of 2.91, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3-butan-2-yl-2-methylheptan-2-yl)oxysilane is sourced from PubChem (CID 174476701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).