chloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate

C11H14Cl2O4 — CID 142867685

IUPACchloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
SMILESC=C(CC1OC(=O)C(Cl)=C1C)C(=O)OC.CCl
InChIInChI=1S/C10H11ClO4.CH3Cl/c1-5(9(12)14-3)4-7-6(2)8(11)10(13)15-7;1-2/h7H,1,4H2,2-3H3;1H3
InChIKeyJDQLQURTHKZRKR-UHFFFAOYSA-N
MW281.13 g/mol
LogP2.40
Rot. Bonds3

About chloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate

chloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate (PubChem CID 142867685) has the molecular formula C11H14Cl2O4 and a molecular weight of 281.13 g/mol. Its IUPAC name is chloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate.

Molecular Properties

Compound Namechloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
PubChem CID142867685
Molecular FormulaC11H14Cl2O4
Molecular Weight281.13 g/mol
Exact Mass280.03
IUPAC Namechloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
SMILESC=C(CC1OC(=O)C(Cl)=C1C)C(=O)OC.CCl
InChIInChI=1S/C10H11ClO4.CH3Cl/c1-5(9(12)14-3)4-7-6(2)8(11)10(13)15-7;1-2/h7H,1,4H2,2-3H3;1H3
InChIKeyJDQLQURTHKZRKR-UHFFFAOYSA-N
XLogP2.40
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.13
LogP ≤ 52.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

methyl 2-[(3,4-dichloro-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
CID 10060690
methyl (4R)-4-ethoxycyclopentene-1-carboxylate
CID 15937088
methyl (4S)-4-ethoxycyclopentene-1-carboxylate
CID 101625426
ethyl 2-[(3,4-dimethyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
CID 21037704
1-(2,5-Dioxofuran-3-yl)butan-2-yl prop-2-enoate
CID 140146689
1-(2,5-Dioxofuran-3-yl)butan-2-yl 2-methylprop-2-enoate
CID 140146707
(3Z)-5-[(E)-but-2-en-2-yl]-3-(chloromethylidene)oxolan-2-one
CID 13307905
Methyl 4-butoxy-1-cyclopentene-1-carboxylate
CID 24977735
(3Z)-5-[(Z)-but-2-en-2-yl]-3-(chloromethylidene)oxolan-2-one
CID 133672021
methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate
CID 142867686

Frequently Asked Questions

What is the IUPAC name of chloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate?
The IUPAC name of chloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate (CID 142867685) is chloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate.
What is the SMILES notation for chloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate?
The canonical SMILES for chloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate is C=C(CC1OC(=O)C(Cl)=C1C)C(=O)OC.CCl.
What is the InChIKey of chloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate?
The InChIKey is JDQLQURTHKZRKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11ClO4.CH3Cl/c1-5(9(12)14-3)4-7-6(2)8(11)10(13)15-7;1-2/h7H,1,4H2,2-3H3;1H3.
What are the key properties of chloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate?
chloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate has a molecular weight of 281.13 g/mol, XLogP of 2.40, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for chloromethane;methyl 2-[(4-chloro-3-methyl-5-oxo-2H-furan-2-yl)methyl]prop-2-enoate is sourced from PubChem (CID 142867685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).