butan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol

C37H116O12Si6 — CID 158758148

IUPACbutan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol
SMILESC.C.C.C.C.C.CCCCCOCCO.CCCCO.CO[SiH2]C.CO[SiH2]C.CO[SiH2]C.CO[SiH2]C.C[SiH2]CCCO.C[SiH2]CCCOCCO.OCCO
InChIInChI=1S/C7H16O2.C6H16O2Si.C4H12OSi.C4H10O.C2H6O2.4C2H8OSi.6CH4/c1-2-3-4-6-9-7-5-8;1-9-6-2-4-8-5-3-7;1-6-4-2-3-5;1-2-3-4-5;3-1-2-4;4*1-3-4-2;;;;;;/h8H,2-7H2,1H3;7H,2-6,9H2,1H3;5H,2-4,6H2,1H3;5H,2-4H2,1H3;3-4H,1-2H2;4*4H2,1-2H3;6*1H4
InChIKeyIOIGZFXCJWNJEC-UHFFFAOYSA-N
MW921.84 g/mol
LogP3.84
Rot. Bonds22

About butan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol

butan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol (PubChem CID 158758148) has the molecular formula C37H116O12Si6 and a molecular weight of 921.84 g/mol. Its IUPAC name is butan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol.

Molecular Properties

Compound Namebutan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol
PubChem CID158758148
Molecular FormulaC37H116O12Si6
Molecular Weight921.84 g/mol
Exact Mass920.71
IUPAC Namebutan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol
SMILESC.C.C.C.C.C.CCCCCOCCO.CCCCO.CO[SiH2]C.CO[SiH2]C.CO[SiH2]C.CO[SiH2]C.C[SiH2]CCCO.C[SiH2]CCCOCCO.OCCO
InChIInChI=1S/C7H16O2.C6H16O2Si.C4H12OSi.C4H10O.C2H6O2.4C2H8OSi.6CH4/c1-2-3-4-6-9-7-5-8;1-9-6-2-4-8-5-3-7;1-6-4-2-3-5;1-2-3-4-5;3-1-2-4;4*1-3-4-2;;;;;;/h8H,2-7H2,1H3;7H,2-6,9H2,1H3;5H,2-4,6H2,1H3;5H,2-4H2,1H3;3-4H,1-2H2;4*4H2,1-2H3;6*1H4
InChIKeyIOIGZFXCJWNJEC-UHFFFAOYSA-N
XLogP3.84
TPSA176.76 Ų
H-Bond Donors6
H-Bond Acceptors12
Rotatable Bonds22
Heavy Atoms55
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500921.84
LogP ≤ 53.84
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1012

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

butan-1-ol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;1-propoxypentane
CID 159780367
tetrakis(ethane-1,2-diol);silane;2-tridecoxyethanol
CID 175031479
methane;4-methoxybutan-1-ol;methoxy(methyl)silane;3-methylsilylpropan-1-ol
CID 167674358
ethane-1,2-diol;2-octoxyethanol
CID 87517178
2-tetradecoxyethanol
CID 16491
2-dodecoxyethanol
CID 24750
2-heptoxyethanol
CID 23889
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethanol;1-nonoxynonane
CID 22211981
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-pentadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139597034
2-[2-(12-octadecoxydodecoxy)ethoxy]ethanol
CID 169016922
2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-[2-(2-tridecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 139595918
2-[2-[2-[2-[2-[2-[2-[2-[2-(2-heptadecoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethanol
CID 15607546

Frequently Asked Questions

What is the IUPAC name of butan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol?
The IUPAC name of butan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol (CID 158758148) is butan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol.
What is the SMILES notation for butan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol?
The canonical SMILES for butan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol is C.C.C.C.C.C.CCCCCOCCO.CCCCO.CO[SiH2]C.CO[SiH2]C.CO[SiH2]C.CO[SiH2]C.C[SiH2]CCCO.C[SiH2]CCCOCCO.OCCO.
What is the InChIKey of butan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol?
The InChIKey is IOIGZFXCJWNJEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H16O2.C6H16O2Si.C4H12OSi.C4H10O.C2H6O2.4C2H8OSi.6CH4/c1-2-3-4-6-9-7-5-8;1-9-6-2-4-8-5-3-7;1-6-4-2-3-5;1-2-3-4-5;3-1-2-4;4*1-3-4-2;;;;;;/h8H,2-7H2,1H3;7H,2-6,9H2,1H3;5H,2-4,6H2,1H3;5H,2-4H2,1H3;3-4H,1-2H2;4*4H2,1-2H3;6*1H4.
What are the key properties of butan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol?
butan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol has a molecular weight of 921.84 g/mol, XLogP of 3.84, 22 rotatable bonds, 6 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for butan-1-ol;ethane-1,2-diol;methane;methoxy(methyl)silane;3-methylsilylpropan-1-ol;2-(3-methylsilylpropoxy)ethanol;2-pentoxyethanol is sourced from PubChem (CID 158758148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).