[chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate

C10H15ClO5 — CID 151095548

IUPAC[chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(Cl)(OC)OC1CCCO1
InChIInChI=1S/C10H15ClO5/c1-7(2)9(12)16-10(11,13-3)15-8-5-4-6-14-8/h8H,1,4-6H2,2-3H3
InChIKeyMNAKHMKYWOXMQT-UHFFFAOYSA-N
MW250.68 g/mol
LogP1.76
Rot. Bonds5

About [chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate

[chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate (PubChem CID 151095548) has the molecular formula C10H15ClO5 and a molecular weight of 250.68 g/mol. Its IUPAC name is [chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate.

Molecular Properties

Compound Name[chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate
PubChem CID151095548
Molecular FormulaC10H15ClO5
Molecular Weight250.68 g/mol
Exact Mass250.06
IUPAC Name[chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate
SMILESC=C(C)C(=O)OC(Cl)(OC)OC1CCCO1
InChIInChI=1S/C10H15ClO5/c1-7(2)9(12)16-10(11,13-3)15-8-5-4-6-14-8/h8H,1,4-6H2,2-3H3
InChIKeyMNAKHMKYWOXMQT-UHFFFAOYSA-N
XLogP1.76
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.68
LogP ≤ 51.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', '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

oxolan-2-yl 2-methylprop-2-eneperoxoate
CID 141130125
2-methylprop-2-enoic acid;oxolan-2-yl prop-2-enoate
CID 159532508
3-[2-(oxan-2-yloxy)propan-2-ylsulfanyl]propyl 2-methylprop-2-enoate
CID 142264084
2-cyclopentylpropan-2-yl 2-methylprop-2-enoate
CID 59130085
2-[2-(2-bicyclo[2.2.1]heptanylmethyl)-1,1,1,3,3,3-hexafluoropropan-2-yl]oxyoxane;methyl 2-methylprop-2-enoate
CID 157372698
2-cycloheptylpropan-2-yl 2-methylprop-2-enoate
CID 139975270
ethanol;oxolan-2-ylmethyl 2-methylprop-2-enoate
CID 67764408
1,1-dicyclohexylethyl 2-methylprop-2-enoate
CID 22090694
[3-(2-methylprop-2-enoyloxy)oxan-2-yl]methyl 2-methylprop-2-enoate
CID 129143087
(3-cyclopentyl-2-methylhex-4-yn-3-yl) 2-methylprop-2-enoate
CID 164803622
oxolan-2-yl 3-(2-methylprop-2-enoyloxy)adamantane-1-carboxylate
CID 139888995
oxiran-2-yl 2-methylprop-2-enoate
CID 20678066

Frequently Asked Questions

What is the IUPAC name of [chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate?
The IUPAC name of [chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate (CID 151095548) is [chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate.
What is the SMILES notation for [chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate?
The canonical SMILES for [chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate is C=C(C)C(=O)OC(Cl)(OC)OC1CCCO1.
What is the InChIKey of [chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate?
The InChIKey is MNAKHMKYWOXMQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15ClO5/c1-7(2)9(12)16-10(11,13-3)15-8-5-4-6-14-8/h8H,1,4-6H2,2-3H3.
What are the key properties of [chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate?
[chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate has a molecular weight of 250.68 g/mol, XLogP of 1.76, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [chloro-methoxy-(oxolan-2-yloxy)methyl] 2-methylprop-2-enoate is sourced from PubChem (CID 151095548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).