(1,2-dimethylcyclohexyl)silyl prop-2-enoate

C11H20O2Si — CID 173245096

IUPAC(1,2-dimethylcyclohexyl)silyl prop-2-enoate
SMILESC=CC(=O)O[SiH2]C1(C)CCCCC1C
InChIInChI=1S/C11H20O2Si/c1-4-10(12)13-14-11(3)8-6-5-7-9(11)2/h4,9H,1,5-8,14H2,2-3H3
InChIKeyMKIPIZYAJCTFAQ-UHFFFAOYSA-N
MW212.36 g/mol
LogP2.19
Rot. Bonds3

About (1,2-dimethylcyclohexyl)silyl prop-2-enoate

(1,2-dimethylcyclohexyl)silyl prop-2-enoate (PubChem CID 173245096) has the molecular formula C11H20O2Si and a molecular weight of 212.36 g/mol. Its IUPAC name is (1,2-dimethylcyclohexyl)silyl prop-2-enoate.

Molecular Properties

Compound Name(1,2-dimethylcyclohexyl)silyl prop-2-enoate
PubChem CID173245096
Molecular FormulaC11H20O2Si
Molecular Weight212.36 g/mol
Exact Mass212.12
IUPAC Name(1,2-dimethylcyclohexyl)silyl prop-2-enoate
SMILESC=CC(=O)O[SiH2]C1(C)CCCCC1C
InChIInChI=1S/C11H20O2Si/c1-4-10(12)13-14-11(3)8-6-5-7-9(11)2/h4,9H,1,5-8,14H2,2-3H3
InChIKeyMKIPIZYAJCTFAQ-UHFFFAOYSA-N
XLogP2.19
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.36
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze (1,2-dimethylcyclohexyl)silyl prop-2-enoate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2,2-dihydroxycyclohexyl) prop-2-enoate
CID 156755647
1-bicyclo[4.4.3]tridecanyl prop-2-enoate
CID 169221780
(1,2-dimethylcyclohexyl)oxy-ethenylsilane
CID 57372735
[1-(3-ethylpentan-3-yl)cyclohexyl] prop-2-enoate
CID 66663238
1-but-3-en-2-yl-2-methylcyclohexane-1-carboxylic acid
CID 131181795
2-methyl-1-prop-2-enylcyclohexane-1-carboxylic acid
CID 131021386
(1,2,2-trimethylcyclooctyl) prop-2-enoate
CID 164546648
carbonic acid;1,2-dimethylcyclohexan-1-amine
CID 173050882
(2,6-dimethylcyclohexyl) prop-2-enoate
CID 67392274
spiro[4.6]undecan-4-yl prop-2-enoate
CID 164546838
methanol;1,1,2-trimethylcyclohexane
CID 70292509
methyl 2-methyl-1-(prop-2-enylamino)cyclohexane-1-carboxylate
CID 62353103

Frequently Asked Questions

What is the IUPAC name of (1,2-dimethylcyclohexyl)silyl prop-2-enoate?
The IUPAC name of (1,2-dimethylcyclohexyl)silyl prop-2-enoate (CID 173245096) is (1,2-dimethylcyclohexyl)silyl prop-2-enoate.
What is the SMILES notation for (1,2-dimethylcyclohexyl)silyl prop-2-enoate?
The canonical SMILES for (1,2-dimethylcyclohexyl)silyl prop-2-enoate is C=CC(=O)O[SiH2]C1(C)CCCCC1C.
What is the InChIKey of (1,2-dimethylcyclohexyl)silyl prop-2-enoate?
The InChIKey is MKIPIZYAJCTFAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O2Si/c1-4-10(12)13-14-11(3)8-6-5-7-9(11)2/h4,9H,1,5-8,14H2,2-3H3.
What are the key properties of (1,2-dimethylcyclohexyl)silyl prop-2-enoate?
(1,2-dimethylcyclohexyl)silyl prop-2-enoate has a molecular weight of 212.36 g/mol, XLogP of 2.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1,2-dimethylcyclohexyl)silyl prop-2-enoate is sourced from PubChem (CID 173245096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).