heptane;trihydroxy(methoxy)silane

C8H22O4Si — CID 174556151

IUPACheptane;trihydroxy(methoxy)silane
SMILESCCCCCCC.CO[Si](O)(O)O
InChIInChI=1S/C7H16.CH6O4Si/c1-3-5-7-6-4-2;1-5-6(2,3)4/h3-7H2,1-2H3;2-4H,1H3
InChIKeyZCGKFPUPRLSYSH-UHFFFAOYSA-N
MW210.35 g/mol
LogP1.02
Rot. Bonds5

About heptane;trihydroxy(methoxy)silane

heptane;trihydroxy(methoxy)silane (PubChem CID 174556151) has the molecular formula C8H22O4Si and a molecular weight of 210.35 g/mol. Its IUPAC name is heptane;trihydroxy(methoxy)silane.

Molecular Properties

Compound Nameheptane;trihydroxy(methoxy)silane
PubChem CID174556151
Molecular FormulaC8H22O4Si
Molecular Weight210.35 g/mol
Exact Mass210.13
IUPAC Nameheptane;trihydroxy(methoxy)silane
SMILESCCCCCCC.CO[Si](O)(O)O
InChIInChI=1S/C7H16.CH6O4Si/c1-3-5-7-6-4-2;1-5-6(2,3)4/h3-7H2,1-2H3;2-4H,1H3
InChIKeyZCGKFPUPRLSYSH-UHFFFAOYSA-N
XLogP1.02
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.35
LogP ≤ 51.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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

methoxymethane;undecane
CID 174775722
decane;ruthenium
CID 160818595
trihydroxy(tetradecoxy)silane
CID 87382904
hexacosyl(trimethoxy)silane
CID 150262252
trimethoxy(pentacontyl)silane
CID 87930715
hexane;bis(hexyl(trimethoxy)silane)
CID 175053771
decyl(trimethoxy)silane;hexyl(trimethoxy)silane
CID 22665206
dodecyl(trimethoxy)silane;octane
CID 174570785
methanol;undecane
CID 161373911
trihydroxy-[octadecyl-bis(trihydroxysilyloxy)silyl]oxysilane
CID 101049224
trimethoxy(undecyl)silane;hydrobromide
CID 172731268
hexyl-dimethoxy-nonadecylsilane
CID 139614220

Frequently Asked Questions

What is the IUPAC name of heptane;trihydroxy(methoxy)silane?
The IUPAC name of heptane;trihydroxy(methoxy)silane (CID 174556151) is heptane;trihydroxy(methoxy)silane.
What is the SMILES notation for heptane;trihydroxy(methoxy)silane?
The canonical SMILES for heptane;trihydroxy(methoxy)silane is CCCCCCC.CO[Si](O)(O)O.
What is the InChIKey of heptane;trihydroxy(methoxy)silane?
The InChIKey is ZCGKFPUPRLSYSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16.CH6O4Si/c1-3-5-7-6-4-2;1-5-6(2,3)4/h3-7H2,1-2H3;2-4H,1H3.
What are the key properties of heptane;trihydroxy(methoxy)silane?
heptane;trihydroxy(methoxy)silane has a molecular weight of 210.35 g/mol, XLogP of 1.02, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for heptane;trihydroxy(methoxy)silane is sourced from PubChem (CID 174556151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).