(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate

C14H22O2 — CID 122533362

IUPAC(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C2CC2)CCCCC1C
InChIInChI=1S/C14H22O2/c1-10(2)13(15)16-14(12-7-8-12)9-5-4-6-11(14)3/h11-12H,1,4-9H2,2-3H3
InChIKeyAORWBEDLRGBKGM-UHFFFAOYSA-N
MW222.33 g/mol
LogP3.46
Rot. Bonds3

About (1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate

(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate (PubChem CID 122533362) has the molecular formula C14H22O2 and a molecular weight of 222.33 g/mol. Its IUPAC name is (1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate
PubChem CID122533362
Molecular FormulaC14H22O2
Molecular Weight222.33 g/mol
Exact Mass222.16
IUPAC Name(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C2CC2)CCCCC1C
InChIInChI=1S/C14H22O2/c1-10(2)13(15)16-14(12-7-8-12)9-5-4-6-11(14)3/h11-12H,1,4-9H2,2-3H3
InChIKeyAORWBEDLRGBKGM-UHFFFAOYSA-N
XLogP3.46
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.33
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

(1-cyclohexyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533389
(1,2-dicyclohexylcyclohexyl) 2-methylprop-2-enoate
CID 122533391
(1-cyclohexyl-2-prop-2-enoyloxycyclohexyl) 2-methylprop-2-enoate
CID 141485230
(3-methyl-2-oxo-3,4,5,6,7,7a-hexahydro-1-benzofuran-3a-yl) 2-methylprop-2-enoate
CID 118504396
(1,2,2,3-tetramethylcyclopentyl) 2-methylprop-2-enoate
CID 164546927
(4-cyclopropylspiro[4.5]decan-4-yl) 2-methylprop-2-enoate
CID 122533410
(3-cyclopropylspiro[4.5]decan-3-yl) 2-methylprop-2-enoate
CID 122533437
1-bicyclo[5.5.2]tetradecanyl 2-methylprop-2-enoate
CID 164546417
1-bicyclo[6.2.2]dodecanyl 2-methylprop-2-enoate
CID 164546621
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617
1-bicyclo[5.3.2]dodecanyl 2-methylprop-2-enoate
CID 164546575
(1-methyl-2-propoxycyclohexyl) 2-methylprop-2-enoate
CID 58844002

Frequently Asked Questions

What is the IUPAC name of (1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate?
The IUPAC name of (1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate (CID 122533362) is (1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate.
What is the SMILES notation for (1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate?
The canonical SMILES for (1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C2CC2)CCCCC1C.
What is the InChIKey of (1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate?
The InChIKey is AORWBEDLRGBKGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22O2/c1-10(2)13(15)16-14(12-7-8-12)9-5-4-6-11(14)3/h11-12H,1,4-9H2,2-3H3.
What are the key properties of (1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate?
(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate has a molecular weight of 222.33 g/mol, XLogP of 3.46, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate is sourced from PubChem (CID 122533362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).