heptan-4-yloxy(2-methylpropyl)silane

C11H26OSi — CID 123412340

IUPACheptan-4-yloxy(2-methylpropyl)silane
SMILESCCCC(CCC)O[SiH2]CC(C)C
InChIInChI=1S/C11H26OSi/c1-5-7-11(8-6-2)12-13-9-10(3)4/h10-11H,5-9,13H2,1-4H3
InChIKeyYISVRVWEYNDSKR-UHFFFAOYSA-N
MW202.41 g/mol
LogP3.13
Rot. Bonds8

About heptan-4-yloxy(2-methylpropyl)silane

heptan-4-yloxy(2-methylpropyl)silane (PubChem CID 123412340) has the molecular formula C11H26OSi and a molecular weight of 202.41 g/mol. Its IUPAC name is heptan-4-yloxy(2-methylpropyl)silane.

Molecular Properties

Compound Nameheptan-4-yloxy(2-methylpropyl)silane
PubChem CID123412340
Molecular FormulaC11H26OSi
Molecular Weight202.41 g/mol
Exact Mass202.18
IUPAC Nameheptan-4-yloxy(2-methylpropyl)silane
SMILESCCCC(CCC)O[SiH2]CC(C)C
InChIInChI=1S/C11H26OSi/c1-5-7-11(8-6-2)12-13-9-10(3)4/h10-11H,5-9,13H2,1-4H3
InChIKeyYISVRVWEYNDSKR-UHFFFAOYSA-N
XLogP3.13
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.41
LogP ≤ 53.13
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

heptan-4-yloxy(6-heptan-4-yloxysilylhexyl)silane
CID 123472134
heptan-4-yloxy(hexadecyl)silane
CID 123750148
nonan-4-yloxy(3-nonan-4-yloxysilylpropyl)silane
CID 123647255
heptan-4-yloxy(prop-2-enyl)silane
CID 173175182
decan-4-yloxy(3-decan-4-yloxysilylpropyl)silane
CID 123836653
hexan-3-yloxy(4-hexan-3-yloxysilylbutyl)silane
CID 123700274
nonan-5-yloxy(4-nonan-5-yloxysilylbutyl)silane
CID 123259328
2-methyl-4-(2-methylheptan-4-yloxy)heptane
CID 22758032
2-methylpentane
CID 7892
5-hexan-3-yloxysilylpentan-1-amine
CID 123592667
(3R)-3,4-dimethylheptane
CID 59819300
octan-3-yloxy(3-octan-3-yloxysilylpropyl)silane
CID 123694171

Frequently Asked Questions

What is the IUPAC name of heptan-4-yloxy(2-methylpropyl)silane?
The IUPAC name of heptan-4-yloxy(2-methylpropyl)silane (CID 123412340) is heptan-4-yloxy(2-methylpropyl)silane.
What is the SMILES notation for heptan-4-yloxy(2-methylpropyl)silane?
The canonical SMILES for heptan-4-yloxy(2-methylpropyl)silane is CCCC(CCC)O[SiH2]CC(C)C.
What is the InChIKey of heptan-4-yloxy(2-methylpropyl)silane?
The InChIKey is YISVRVWEYNDSKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H26OSi/c1-5-7-11(8-6-2)12-13-9-10(3)4/h10-11H,5-9,13H2,1-4H3.
What are the key properties of heptan-4-yloxy(2-methylpropyl)silane?
heptan-4-yloxy(2-methylpropyl)silane has a molecular weight of 202.41 g/mol, XLogP of 3.13, 8 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for heptan-4-yloxy(2-methylpropyl)silane is sourced from PubChem (CID 123412340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).