6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one

C23H38O5Si — CID 160505287

IUPAC6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one
SMILESC[Si](C)(C)OCCCCCCc1ccco1.O=C(CCCCCO)c1ccco1
InChIInChI=1S/C13H24O2Si.C10H14O3/c1-16(2,3)15-12-7-5-4-6-9-13-10-8-11-14-13;11-7-3-1-2-5-9(12)10-6-4-8-13-10/h8,10-11H,4-7,9,12H2,1-3H3;4,6,8,11H,1-3,5,7H2
InChIKeyQSHXQURKOKISPW-UHFFFAOYSA-N
MW422.64 g/mol
LogP6.25
Rot. Bonds14

About 6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one

6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one (PubChem CID 160505287) has the molecular formula C23H38O5Si and a molecular weight of 422.64 g/mol. Its IUPAC name is 6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one.

Molecular Properties

Compound Name6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one
PubChem CID160505287
Molecular FormulaC23H38O5Si
Molecular Weight422.64 g/mol
Exact Mass422.25
IUPAC Name6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one
SMILESC[Si](C)(C)OCCCCCCc1ccco1.O=C(CCCCCO)c1ccco1
InChIInChI=1S/C13H24O2Si.C10H14O3/c1-16(2,3)15-12-7-5-4-6-9-13-10-8-11-14-13;11-7-3-1-2-5-9(12)10-6-4-8-13-10/h8,10-11H,4-7,9,12H2,1-3H3;4,6,8,11H,1-3,5,7H2
InChIKeyQSHXQURKOKISPW-UHFFFAOYSA-N
XLogP6.25
TPSA72.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds14
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.64
LogP ≤ 56.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-(furan-2-yl)-6-hydroxyhexan-1-one
CID 58637371
11-(furan-2-yl)undecan-1-ol
CID 139763920
1-(furan-2-yl)undecan-1-one
CID 15721327
6-(furan-2-yl)-6-oxohexanoic acid
CID 96622261
4-ethoxy-1-(furan-2-yl)butan-1-one
CID 105099293
3-(furan-2-yl)-N-(6-hydroxyhexyl)propanamide
CID 25135773
1-(furan-2-yl)-6-naphthalen-2-yloxyhexan-1-one
CID 67841364
1-dimethoxyphosphoryl-7-(furan-2-yl)heptan-2-one
CID 21329784
4-bromo-1-(furan-2-yl)butan-1-one
CID 3503830
5-(furan-2-yl)pentyl formate
CID 87851919
6-(furan-2-yl)hexyl formate
CID 87852506
2-[6-(furan-2-yl)-6-oxohexyl]-3H-quinazolin-4-one
CID 137279052

Frequently Asked Questions

What is the IUPAC name of 6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one?
The IUPAC name of 6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one (CID 160505287) is 6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one.
What is the SMILES notation for 6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one?
The canonical SMILES for 6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one is C[Si](C)(C)OCCCCCCc1ccco1.O=C(CCCCCO)c1ccco1.
What is the InChIKey of 6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one?
The InChIKey is QSHXQURKOKISPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24O2Si.C10H14O3/c1-16(2,3)15-12-7-5-4-6-9-13-10-8-11-14-13;11-7-3-1-2-5-9(12)10-6-4-8-13-10/h8,10-11H,4-7,9,12H2,1-3H3;4,6,8,11H,1-3,5,7H2.
What are the key properties of 6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one?
6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one has a molecular weight of 422.64 g/mol, XLogP of 6.25, 14 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(furan-2-yl)hexoxy-trimethylsilane;1-(furan-2-yl)-6-hydroxyhexan-1-one is sourced from PubChem (CID 160505287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).