cyclopentyloxymethyl acetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate

C24H36O5 — CID 143448458

IUPACcyclopentyloxymethyl acetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1C1C3CCC(C3)C21.CC(=O)OCOC1CCCC1
InChIInChI=1S/C16H22O2.C8H14O3/c1-8(2)16(17)18-13-7-11-6-12(13)15-10-4-3-9(5-10)14(11)15;1-7(9)10-6-11-8-4-2-3-5-8/h9-15H,1,3-7H2,2H3;8H,2-6H2,1H3
InChIKeyMUIBVAJSJAABBH-UHFFFAOYSA-N
MW404.55 g/mol
LogP4.64
Rot. Bonds5

About cyclopentyloxymethyl acetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate

cyclopentyloxymethyl acetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate (PubChem CID 143448458) has the molecular formula C24H36O5 and a molecular weight of 404.55 g/mol. Its IUPAC name is cyclopentyloxymethyl acetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate.

Molecular Properties

Compound Namecyclopentyloxymethyl acetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate
PubChem CID143448458
Molecular FormulaC24H36O5
Molecular Weight404.55 g/mol
Exact Mass404.26
IUPAC Namecyclopentyloxymethyl acetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CC2CC1C1C3CCC(C3)C21.CC(=O)OCOC1CCCC1
InChIInChI=1S/C16H22O2.C8H14O3/c1-8(2)16(17)18-13-7-11-6-12(13)15-10-4-3-9(5-10)14(11)15;1-7(9)10-6-11-8-4-2-3-5-8/h9-15H,1,3-7H2,2H3;8H,2-6H2,1H3
InChIKeyMUIBVAJSJAABBH-UHFFFAOYSA-N
XLogP4.64
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.55
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'cyclooctane_1', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Related Compounds

Methyl 2-methylprop-2-enoate;8-tricyclo[5.2.1.02,6]decanyl 2-methylprop-2-enoate
CID 144414205
4-Tetracyclo[6.2.1.13,6.02,7]dodecanyloxymethyl 2-(trifluoromethyl)prop-2-enoate
CID 59068934
Decahydro-1,4:5,8-dimethanonaphthalen-2-yl methacrylate
CID 14093423
(10-Methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate
CID 14093424
(9-Methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate
CID 14093425
(11-Oxo-10,12-dioxapentacyclo[6.5.1.13,6.02,7.09,13]pentadecan-4-yl) 2-methylprop-2-enoate
CID 16042775
(9-Methoxy-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) prop-2-enoate
CID 20727718
6-Octacyclo[10.6.1.13,10.15,8.114,17.02,11.04,9.013,18]docosanyl 2-methylprop-2-enoate
CID 21335954
4-Hexacyclo[6.6.1.13,6.110,13.02,7.09,14]heptadecanyl 2-methylprop-2-enoate
CID 21335955
1-(4-Tetracyclo[6.2.1.13,6.02,7]dodecanyloxy)ethyl 2-methylprop-2-enoate
CID 22090722
(4-Ethyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate
CID 22898199
(4-Methyl-4-tetracyclo[6.2.1.13,6.02,7]dodecanyl) 2-methylprop-2-enoate
CID 22898228

Frequently Asked Questions

What is the IUPAC name of cyclopentyloxymethyl acetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate?
The IUPAC name of cyclopentyloxymethyl acetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate (CID 143448458) is cyclopentyloxymethyl acetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate.
What is the SMILES notation for cyclopentyloxymethyl acetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate?
The canonical SMILES for cyclopentyloxymethyl acetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate is C=C(C)C(=O)OC1CC2CC1C1C3CCC(C3)C21.CC(=O)OCOC1CCCC1.
What is the InChIKey of cyclopentyloxymethyl acetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate?
The InChIKey is MUIBVAJSJAABBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22O2.C8H14O3/c1-8(2)16(17)18-13-7-11-6-12(13)15-10-4-3-9(5-10)14(11)15;1-7(9)10-6-11-8-4-2-3-5-8/h9-15H,1,3-7H2,2H3;8H,2-6H2,1H3.
What are the key properties of cyclopentyloxymethyl acetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate?
cyclopentyloxymethyl acetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate has a molecular weight of 404.55 g/mol, XLogP of 4.64, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopentyloxymethyl acetate;4-tetracyclo[6.2.1.13,6.02,7]dodecanyl 2-methylprop-2-enoate is sourced from PubChem (CID 143448458), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).