5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid

C12H24O3Si — CID 142660480

IUPAC5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid
SMILESC=C(CC(O)CCCC(=O)O)C[Si](C)(C)C
InChIInChI=1S/C12H24O3Si/c1-10(9-16(2,3)4)8-11(13)6-5-7-12(14)15/h11,13H,1,5-9H2,2-4H3,(H,14,15)
InChIKeyFBIOVFUCBIHYBX-UHFFFAOYSA-N
MW244.41 g/mol
LogP2.89
Rot. Bonds8

About 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid

5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid (PubChem CID 142660480) has the molecular formula C12H24O3Si and a molecular weight of 244.41 g/mol. Its IUPAC name is 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid.

Molecular Properties

Compound Name5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid
PubChem CID142660480
Molecular FormulaC12H24O3Si
Molecular Weight244.41 g/mol
Exact Mass244.15
IUPAC Name5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid
SMILESC=C(CC(O)CCCC(=O)O)C[Si](C)(C)C
InChIInChI=1S/C12H24O3Si/c1-10(9-16(2,3)4)8-11(13)6-5-7-12(14)15/h11,13H,1,5-9H2,2-4H3,(H,14,15)
InChIKeyFBIOVFUCBIHYBX-UHFFFAOYSA-N
XLogP2.89
TPSA57.53 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.41
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(5S,6S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid
CID 16069439
methyl (5R)-5-hydroxy-3-methylidenedecanoate
CID 66552452
Methyl (5s)-5-hydroxy-3-methylidenedecanoate
CID 72735314
Methyl 3-{(2r)-2-[t-butyl(dimethyl)silyloxy]-heptyl}but-3-enoate
CID 129744158
Methyl 3-{(2s)-2-[t-butyl(dimethyl)silyloxy]-heptyl}but-3-enoate
CID 129750970
Methyl 3-[(2s)-2-{[t-butyl(dimethyl)silyl]oxy}-tridecyl]but-3-enoate
CID 129758635
(5S)-6,8-dimethyl-5-triethylsilyloxynon-8-enoic acid
CID 134867138
(10R)-10-hydroxy-12-(trimethylsilylmethyl)tridec-12-en-6-one
CID 134942392
2-(4-Trimethylsilyloxycyclopenten-1-yl)acetic acid
CID 70459172
6-Hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
CID 74936160
Ethyl 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoate
CID 142654576
(6S)-6-hydroxy-8-(trimethylsilylmethyl)non-8-en-2-one
CID 11172556

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid?
The IUPAC name of 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid (CID 142660480) is 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid.
What is the SMILES notation for 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid?
The canonical SMILES for 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid is C=C(CC(O)CCCC(=O)O)C[Si](C)(C)C.
What is the InChIKey of 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid?
The InChIKey is FBIOVFUCBIHYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H24O3Si/c1-10(9-16(2,3)4)8-11(13)6-5-7-12(14)15/h11,13H,1,5-9H2,2-4H3,(H,14,15).
What are the key properties of 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid?
5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid has a molecular weight of 244.41 g/mol, XLogP of 2.89, 8 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7-(trimethylsilylmethyl)oct-7-enoic acid is sourced from PubChem (CID 142660480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).