(6-methyloxan-3-yl) 2-methylprop-2-enoate

C10H16O3 — CID 129192147

IUPAC(6-methyloxan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(C)OC1
InChIInChI=1S/C10H16O3/c1-7(2)10(11)13-9-5-4-8(3)12-6-9/h8-9H,1,4-6H2,2-3H3
InChIKeyQOKMPRBAHQIUBB-UHFFFAOYSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds2

About (6-methyloxan-3-yl) 2-methylprop-2-enoate

(6-methyloxan-3-yl) 2-methylprop-2-enoate (PubChem CID 129192147) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (6-methyloxan-3-yl) 2-methylprop-2-enoate.

Molecular Properties

Compound Name(6-methyloxan-3-yl) 2-methylprop-2-enoate
PubChem CID129192147
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(6-methyloxan-3-yl) 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC1CCC(C)OC1
InChIInChI=1S/C10H16O3/c1-7(2)10(11)13-9-5-4-8(3)12-6-9/h8-9H,1,4-6H2,2-3H3
InChIKeyQOKMPRBAHQIUBB-UHFFFAOYSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

oxiran-2-yl 2-methylprop-2-enoate
CID 20678066
cyclohexyl 2-methylprop-2-enoate;2-methylprop-1-ene
CID 174922373
[4-[4-(2-methylprop-2-enoyloxy)cyclohexyl]cycloheptyl] 2-methylprop-2-enoate
CID 126595758
(2,2-dimethyl-1,3-dioxan-5-yl) 2-methylprop-2-enoate
CID 54028035
(4-ethoxycyclohexyl) 2-methylprop-2-enoate
CID 147130930
[3-(oxiran-2-yl)cyclohexyl] 2-methylprop-2-enoate
CID 141303889
cyclododecyl 2-methylprop-2-enoate;methane
CID 174824208
cyclohexyl 2-methylprop-2-enoate;methanol
CID 67315224
(4-ethylcyclohexyl) 2-methylprop-2-enoate
CID 22250722
carbonic acid;cyclohexyl 2-methylprop-2-enoate
CID 89120265
1,3-dioxolan-4-yl 2-methylprop-2-enoate
CID 118057422
(5,6-dimethyl-1,4-dioxan-2-yl) 2-methylprop-2-enoate
CID 58183676

Frequently Asked Questions

What is the IUPAC name of (6-methyloxan-3-yl) 2-methylprop-2-enoate?
The IUPAC name of (6-methyloxan-3-yl) 2-methylprop-2-enoate (CID 129192147) is (6-methyloxan-3-yl) 2-methylprop-2-enoate.
What is the SMILES notation for (6-methyloxan-3-yl) 2-methylprop-2-enoate?
The canonical SMILES for (6-methyloxan-3-yl) 2-methylprop-2-enoate is C=C(C)C(=O)OC1CCC(C)OC1.
What is the InChIKey of (6-methyloxan-3-yl) 2-methylprop-2-enoate?
The InChIKey is QOKMPRBAHQIUBB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16O3/c1-7(2)10(11)13-9-5-4-8(3)12-6-9/h8-9H,1,4-6H2,2-3H3.
What are the key properties of (6-methyloxan-3-yl) 2-methylprop-2-enoate?
(6-methyloxan-3-yl) 2-methylprop-2-enoate has a molecular weight of 184.23 g/mol, XLogP of 1.67, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (6-methyloxan-3-yl) 2-methylprop-2-enoate is sourced from PubChem (CID 129192147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).