(1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid

C11H20O2Si — CID 134991077

IUPAC(1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid
SMILESCC1=CC[C@H](C(=O)O)[C@H]([Si](C)(C)C)C1
InChIInChI=1S/C11H20O2Si/c1-8-5-6-9(11(12)13)10(7-8)14(2,3)4/h5,9-10H,6-7H2,1-4H3,(H,12,13)/t9-,10+/m0/s1
InChIKeyBKJWSIHYNHXSBQ-VHSXEESVSA-N
MW212.36 g/mol
LogP3.14
Rot. Bonds2

About (1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid

(1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid (PubChem CID 134991077) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is (1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid.

Molecular Properties

Compound Name(1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid
PubChem CID134991077
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name(1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid
SMILESCC1=CC[C@H](C(=O)O)[C@H]([Si](C)(C)C)C1
InChIInChI=1S/C11H20O2Si/c1-8-5-6-9(11(12)13)10(7-8)14(2,3)4/h5,9-10H,6-7H2,1-4H3,(H,12,13)/t9-,10+/m0/s1
InChIKeyBKJWSIHYNHXSBQ-VHSXEESVSA-N
XLogP3.14
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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

Citronellic acid
CID 10402
4-(1-Methylethyl)-3-cyclohexene-1-carboxylic acid
CID 62117
(R)-(+)-citronellic acid
CID 6999957
(S)-(-)-Citronellic acid
CID 6999955
4-Methyl-3-cyclohexene-1-carboxylic Acid
CID 20350
(E)-3,7,11-trimethyl-6,10-dodecadienoic acid
CID 10105638
4,8-Dimethylnon-7-enoic acid
CID 14391383
2,7-Dimethyl-6-octenoic acid
CID 5282668
Methyl 4-trimethylsilylmethyl-3-cyclohexenecarboxylate
CID 10537258
Methyl 3-trimethylsilylmethyl-3-cyclohexenecarboxylate
CID 12563461
2-[(1R,5S)-2-methyl-5-prop-1-en-2-ylcyclohex-2-en-1-yl]acetic acid
CID 15276322
4-(4-Methyl-3-pentenyl)-3-cyclohexen-1-carboxylic acid
CID 15745074

Frequently Asked Questions

What is the IUPAC name of (1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid?
The IUPAC name of (1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid (CID 134991077) is (1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid.
What is the SMILES notation for (1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid?
The canonical SMILES for (1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid is CC1=CC[C@H](C(=O)O)[C@H]([Si](C)(C)C)C1.
What is the InChIKey of (1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid?
The InChIKey is BKJWSIHYNHXSBQ-VHSXEESVSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-8-5-6-9(11(12)13)10(7-8)14(2,3)4/h5,9-10H,6-7H2,1-4H3,(H,12,13)/t9-,10+/m0/s1.
What are the key properties of (1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid?
(1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid has a molecular weight of 212.36 g/mol, XLogP of 3.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid is sourced from PubChem (CID 134991077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).