2-[2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid

C15H28O2Si — CID 54523613

IUPAC2-[2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid
SMILESCC(C)(C)[Si](C)(C)C=C1CCCCC1CC(=O)O
InChIInChI=1S/C15H28O2Si/c1-15(2,3)18(4,5)11-13-9-7-6-8-12(13)10-14(16)17/h11-12H,6-10H2,1-5H3,(H,16,17)
InChIKeyYROLYMVRYCMRGC-UHFFFAOYSA-N
MW268.47 g/mol
LogP4.63
Rot. Bonds3

About 2-[2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid

2-[2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid (PubChem CID 54523613) has the molecular formula C15H28O2Si and a molecular weight of 268.47 g/mol. Its IUPAC name is 2-[2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid.

Molecular Properties

Compound Name2-[2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid
PubChem CID54523613
Molecular FormulaC15H28O2Si
Molecular Weight268.47 g/mol
Exact Mass268.19
IUPAC Name2-[2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid
SMILESCC(C)(C)[Si](C)(C)C=C1CCCCC1CC(=O)O
InChIInChI=1S/C15H28O2Si/c1-15(2,3)18(4,5)11-13-9-7-6-8-12(13)10-14(16)17/h11-12H,6-10H2,1-5H3,(H,16,17)
InChIKeyYROLYMVRYCMRGC-UHFFFAOYSA-N
XLogP4.63
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.47
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

Dihydroperillic acid
CID 381256
4-Methylidenecyclohexane-1-carboxylic acid
CID 14831547
2-(4-Methylidenecyclohexyl)acetic acid
CID 91169202
2-(2-Methylidenecyclohexyl)acetic acid
CID 10773194
2-Methylidene-5-prop-1-en-2-ylcyclohexane-1-carboxylic acid
CID 15013222
(2R)-2-ethyl-6-methylideneoctanoic acid
CID 44224719
5-Cyclohexylhex-5-enoic acid
CID 121007365
(2R)-2-ethyl-6-methylhept-6-enoic acid
CID 134846929
(1R,6R)-4-methyl-6-trimethylsilylcyclohex-3-ene-1-carboxylic acid
CID 134991077
4-Cyclohexylpent-4-enoic acid
CID 139247616
cis-(1R,2S)-2-prop-1-en-2-ylcyclohexane-1-carboxylic acid
CID 155934842
3-[(2E)-2-ethylidenecyclohexyl]propanoic acid
CID 13428069

Frequently Asked Questions

What is the IUPAC name of 2-[2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid?
The IUPAC name of 2-[2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid (CID 54523613) is 2-[2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid.
What is the SMILES notation for 2-[2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid?
The canonical SMILES for 2-[2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid is CC(C)(C)[Si](C)(C)C=C1CCCCC1CC(=O)O.
What is the InChIKey of 2-[2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid?
The InChIKey is YROLYMVRYCMRGC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O2Si/c1-15(2,3)18(4,5)11-13-9-7-6-8-12(13)10-14(16)17/h11-12H,6-10H2,1-5H3,(H,16,17).
What are the key properties of 2-[2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid?
2-[2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid has a molecular weight of 268.47 g/mol, XLogP of 4.63, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[[tert-butyl(dimethyl)silyl]methylidene]cyclohexyl]acetic acid is sourced from PubChem (CID 54523613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).