(2-cyclopentyl-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate

C17H28O2 — CID 171726372

IUPAC(2-cyclopentyl-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)C)CCCC1C1CCCC1
InChIInChI=1S/C17H28O2/c1-12(2)16(18)19-17(13(3)4)11-7-10-15(17)14-8-5-6-9-14/h13-15H,1,5-11H2,2-4H3
InChIKeyQPYMEBJRMVJDIZ-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.49
Rot. Bonds4

About (2-cyclopentyl-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate

(2-cyclopentyl-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate (PubChem CID 171726372) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is (2-cyclopentyl-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(2-cyclopentyl-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
PubChem CID171726372
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name(2-cyclopentyl-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1(C(C)C)CCCC1C1CCCC1
InChIInChI=1S/C17H28O2/c1-12(2)16(18)19-17(13(3)4)11-7-10-15(17)14-8-5-6-9-14/h13-15H,1,5-11H2,2-4H3
InChIKeyQPYMEBJRMVJDIZ-UHFFFAOYSA-N
XLogP4.49
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.49
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

methyl 2-(2-methylprop-2-enoyloxy)-2-propan-2-ylcyclohexane-1-carboxylate
CID 135226801
(1,2-dicyclohexylcyclohexyl) 2-methylprop-2-enoate
CID 122533391
[1-butan-2-yl-2-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 89090537
(1-butyl-2,3,3a,4,5,6,7,7a-octahydroinden-1-yl) 2-methylprop-2-enoate
CID 164546899
1-bicyclo[5.3.2]dodecanyl 2-methylprop-2-enoate
CID 164546575
1-bicyclo[6.2.2]dodecanyl 2-methylprop-2-enoate
CID 164546621
1-bicyclo[5.5.2]tetradecanyl 2-methylprop-2-enoate
CID 164546417
(1-cyclopropyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533362
(1,2-diethyl-3,3a,4,5,6,7,8,8a-octahydro-2H-azulen-1-yl) 2-methylprop-2-enoate
CID 164546618
(1-cyclohexyl-2-methylcyclohexyl) 2-methylprop-2-enoate
CID 122533389
(3-methoxy-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate
CID 58844059
[1,2-dihydroxy-2-(2-methylprop-2-enoyloxy)cyclohexyl] 2-methylprop-2-enoate
CID 140677617

Frequently Asked Questions

What is the IUPAC name of (2-cyclopentyl-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?
The IUPAC name of (2-cyclopentyl-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate (CID 171726372) is (2-cyclopentyl-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate.
What is the SMILES notation for (2-cyclopentyl-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?
The canonical SMILES for (2-cyclopentyl-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1(C(C)C)CCCC1C1CCCC1.
What is the InChIKey of (2-cyclopentyl-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?
The InChIKey is QPYMEBJRMVJDIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-12(2)16(18)19-17(13(3)4)11-7-10-15(17)14-8-5-6-9-14/h13-15H,1,5-11H2,2-4H3.
What are the key properties of (2-cyclopentyl-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate?
(2-cyclopentyl-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate has a molecular weight of 264.41 g/mol, XLogP of 4.49, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2-cyclopentyl-1-propan-2-ylcyclopentyl) 2-methylprop-2-enoate is sourced from PubChem (CID 171726372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).