(2-heptan-2-yloxan-2-yl)silane

C12H26OSi — CID 123704383

IUPAC(2-heptan-2-yloxan-2-yl)silane
SMILESCCCCCC(C)C1([SiH3])CCCCO1
InChIInChI=1S/C12H26OSi/c1-3-4-5-8-11(2)12(14)9-6-7-10-13-12/h11H,3-10H2,1-2,14H3
InChIKeyIDKJPFGWASDDON-UHFFFAOYSA-N
MW214.42 g/mol
LogP2.46
Rot. Bonds5

About (2-heptan-2-yloxan-2-yl)silane

(2-heptan-2-yloxan-2-yl)silane (PubChem CID 123704383) has the molecular formula C12H26OSi and a molecular weight of 214.42 g/mol. Its IUPAC name is (2-heptan-2-yloxan-2-yl)silane.

Molecular Properties

Compound Name(2-heptan-2-yloxan-2-yl)silane
PubChem CID123704383
Molecular FormulaC12H26OSi
Molecular Weight214.42 g/mol
Exact Mass214.18
IUPAC Name(2-heptan-2-yloxan-2-yl)silane
SMILESCCCCCC(C)C1([SiH3])CCCCO1
InChIInChI=1S/C12H26OSi/c1-3-4-5-8-11(2)12(14)9-6-7-10-13-12/h11H,3-10H2,1-2,14H3
InChIKeyIDKJPFGWASDDON-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.42
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

2H-Pyran, tetrahydro-4-methyl-2-(2-methylpropyl)-
CID 114530
2H-Pyran, 3-heptyltetrahydro-
CID 68443944
(2S,4S)-4-Methyl-2-(2-methylpropyl)oxane
CID 12684605
2-Methyl-3-amyltetrahydropyran
CID 129789661
3-Methyl-6-propyltetrahydropyran
CID 129806384
[3,3,5-Tris(3-fluoropropyl)-2-methyloxan-2-yl]silane
CID 174146741
[2-(3,3,3-Trifluoro-2-methylpropyl)oxan-2-yl]silane
CID 174648766
[2-(3-Fluoro-2-methylpropyl)oxan-2-yl]silane
CID 174783130
2-Ethyl-4,6-dimethyltetrahydropyran
CID 549985
(2S,4R)-4-methyl-2-(2-methylpropyl)oxane
CID 12684604
2-(2-Methylpropyl)oxane
CID 14242125
3-Pentyloxane
CID 20239943

Frequently Asked Questions

What is the IUPAC name of (2-heptan-2-yloxan-2-yl)silane?
The IUPAC name of (2-heptan-2-yloxan-2-yl)silane (CID 123704383) is (2-heptan-2-yloxan-2-yl)silane.
What is the SMILES notation for (2-heptan-2-yloxan-2-yl)silane?
The canonical SMILES for (2-heptan-2-yloxan-2-yl)silane is CCCCCC(C)C1([SiH3])CCCCO1.
What is the InChIKey of (2-heptan-2-yloxan-2-yl)silane?
The InChIKey is IDKJPFGWASDDON-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H26OSi/c1-3-4-5-8-11(2)12(14)9-6-7-10-13-12/h11H,3-10H2,1-2,14H3.
What are the key properties of (2-heptan-2-yloxan-2-yl)silane?
(2-heptan-2-yloxan-2-yl)silane has a molecular weight of 214.42 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2-heptan-2-yloxan-2-yl)silane is sourced from PubChem (CID 123704383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).