2-[(1S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid

C15H28O3Si — CID 140680377

IUPAC2-[(1S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid
SMILESC[C@H]1C(O[Si](C)(C)C(C)(C)C)CC=C[C@@H]1CC(=O)O
InChIInChI=1S/C15H28O3Si/c1-11-12(10-14(16)17)8-7-9-13(11)18-19(5,6)15(2,3)4/h7-8,11-13H,9-10H2,1-6H3,(H,16,17)/t11-,12-,13?/m1/s1
InChIKeyCBGWYWNVDAWSDW-ZNRZSNADSA-N
MW284.47 g/mol
LogP4.06
Rot. Bonds4

About 2-[(1S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid

2-[(1S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid (PubChem CID 140680377) has the molecular formula C15H28O3Si and a molecular weight of 284.47 g/mol. Its IUPAC name is 2-[(1S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid.

Molecular Properties

Compound Name2-[(1S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid
PubChem CID140680377
Molecular FormulaC15H28O3Si
Molecular Weight284.47 g/mol
Exact Mass284.18
IUPAC Name2-[(1S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid
SMILESC[C@H]1C(O[Si](C)(C)C(C)(C)C)CC=C[C@@H]1CC(=O)O
InChIInChI=1S/C15H28O3Si/c1-11-12(10-14(16)17)8-7-9-13(11)18-19(5,6)15(2,3)4/h7-8,11-13H,9-10H2,1-6H3,(H,16,17)/t11-,12-,13?/m1/s1
InChIKeyCBGWYWNVDAWSDW-ZNRZSNADSA-N
XLogP4.06
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.47
LogP ≤ 54.06
H-Bond Donors ≤ 51
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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Launch Full Analysis

Related Compounds

(5S,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid
CID 89570911
2-[(1R,2S)-3-[tert-butyl(dimethyl)silyl]oxy-2-[(Z)-pent-2-enyl]cyclopentyl]acetic acid
CID 134916927
2-(4-Trimethylsilyloxycyclopent-2-en-1-yl)acetic acid
CID 70459170
2-(4-Trimethylsilyloxycyclopenten-1-yl)acetic acid
CID 70459172
2-[(1R,6S)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid
CID 140680371
5-[Tert-butyl(dimethyl)silyl]oxy-6-methylnon-8-enoic acid
CID 154464377
cis-(1S,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid
CID 11461123
trans-(1R,2R)-2-[(1S)-1-tri(propan-2-yl)silyloxybut-3-enyl]cyclopropane-1-carboxylic acid
CID 11472452
2-[(3aS,4S,7S,7aS)-2-oxo-7-(trimethylsilylmethyl)-3a,4,7,7a-tetrahydro-3H-1-benzofuran-4-yl]acetic acid
CID 11977145
2-[(1S,5R)-5-hydroxycyclohex-2-en-1-yl]acetic acid
CID 46935032
2-(5-Hydroxycyclohex-2-en-1-yl)acetic acid
CID 75243208
2-[(3aR,4R,7R,7aR)-2-oxo-7-(trimethylsilylmethyl)-3a,4,7,7a-tetrahydro-3H-1-benzofuran-4-yl]acetic acid
CID 101408223

Frequently Asked Questions

What is the IUPAC name of 2-[(1S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid?
The IUPAC name of 2-[(1S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid (CID 140680377) is 2-[(1S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid.
What is the SMILES notation for 2-[(1S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid?
The canonical SMILES for 2-[(1S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid is C[C@H]1C(O[Si](C)(C)C(C)(C)C)CC=C[C@@H]1CC(=O)O.
What is the InChIKey of 2-[(1S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid?
The InChIKey is CBGWYWNVDAWSDW-ZNRZSNADSA-N. The full InChI is InChI=1S/C15H28O3Si/c1-11-12(10-14(16)17)8-7-9-13(11)18-19(5,6)15(2,3)4/h7-8,11-13H,9-10H2,1-6H3,(H,16,17)/t11-,12-,13?/m1/s1.
What are the key properties of 2-[(1S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid?
2-[(1S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid has a molecular weight of 284.47 g/mol, XLogP of 4.06, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,6R)-5-[tert-butyl(dimethyl)silyl]oxy-6-methylcyclohex-2-en-1-yl]acetic acid is sourced from PubChem (CID 140680377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).