methyl 3,4-dihydro-2H-pyran-2-carboxylate;oxolane

C11H18O4 — CID 67878756

IUPACmethyl 3,4-dihydro-2H-pyran-2-carboxylate;oxolane
SMILESC1CCOC1.COC(=O)C1CCC=CO1
InChIInChI=1S/C7H10O3.C4H8O/c1-9-7(8)6-4-2-3-5-10-6;1-2-4-5-3-1/h3,5-6H,2,4H2,1H3;1-4H2
InChIKeyQSTANQHTDNNTLB-UHFFFAOYSA-N
MW214.26 g/mol
LogP1.65
Rot. Bonds1

About methyl 3,4-dihydro-2H-pyran-2-carboxylate;oxolane

methyl 3,4-dihydro-2H-pyran-2-carboxylate;oxolane (PubChem CID 67878756) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is methyl 3,4-dihydro-2H-pyran-2-carboxylate;oxolane.

Molecular Properties

Compound Namemethyl 3,4-dihydro-2H-pyran-2-carboxylate;oxolane
PubChem CID67878756
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Namemethyl 3,4-dihydro-2H-pyran-2-carboxylate;oxolane
SMILESC1CCOC1.COC(=O)C1CCC=CO1
InChIInChI=1S/C7H10O3.C4H8O/c1-9-7(8)6-4-2-3-5-10-6;1-2-4-5-3-1/h3,5-6H,2,4H2,1H3;1-4H2
InChIKeyQSTANQHTDNNTLB-UHFFFAOYSA-N
XLogP1.65
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3,4-dihydro-2H-pyran-2-carboxylate
CID 10909671
N-methoxy-N-methyl-3,4-dihydro-2H-pyran-2-carboxamide
CID 130711038
methyl (3R)-oxane-3-carboxylate
CID 86306897
methyl 3-(3,4-dihydro-2H-pyran-2-ylmethylamino)propanoate
CID 62065434
methyl (2R,4R)-4-methyloxetane-2-carboxylate
CID 77068268
oxolane;propan-2-one
CID 22559816
methane;methyl oxane-4-carboxylate;oxane-4-carbaldehyde
CID 158391626
methyl 2-trimethylsilylcyclohex-3-ene-1-carboxylate
CID 12726625
methyl (3aS,7aS)-2-(3,4-dihydro-2H-pyran-2-ylmethyl)-1,3,3a,4,6,7-hexahydropyrano[3,4-c]pyrrole-7a-carboxylate
CID 122139655
methyl 4-hydroxyoxane-3-carboxylate
CID 82596115
methyl 3-(oxan-4-yl)propanoate
CID 55296577
dimethyl (1R,2S)-cyclohex-3-ene-1,2-dicarboxylate
CID 134992131

Frequently Asked Questions

What is the IUPAC name of methyl 3,4-dihydro-2H-pyran-2-carboxylate;oxolane?
The IUPAC name of methyl 3,4-dihydro-2H-pyran-2-carboxylate;oxolane (CID 67878756) is methyl 3,4-dihydro-2H-pyran-2-carboxylate;oxolane.
What is the SMILES notation for methyl 3,4-dihydro-2H-pyran-2-carboxylate;oxolane?
The canonical SMILES for methyl 3,4-dihydro-2H-pyran-2-carboxylate;oxolane is C1CCOC1.COC(=O)C1CCC=CO1.
What is the InChIKey of methyl 3,4-dihydro-2H-pyran-2-carboxylate;oxolane?
The InChIKey is QSTANQHTDNNTLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10O3.C4H8O/c1-9-7(8)6-4-2-3-5-10-6;1-2-4-5-3-1/h3,5-6H,2,4H2,1H3;1-4H2.
What are the key properties of methyl 3,4-dihydro-2H-pyran-2-carboxylate;oxolane?
methyl 3,4-dihydro-2H-pyran-2-carboxylate;oxolane has a molecular weight of 214.26 g/mol, XLogP of 1.65, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,4-dihydro-2H-pyran-2-carboxylate;oxolane is sourced from PubChem (CID 67878756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).