methyl 3,5-bis(oxan-2-yloxy)benzoate

C18H24O6 — CID 21305399

IUPACmethyl 3,5-bis(oxan-2-yloxy)benzoate
SMILESCOC(=O)c1cc(OC2CCCCO2)cc(OC2CCCCO2)c1
InChIInChI=1S/C18H24O6/c1-20-18(19)13-10-14(23-16-6-2-4-8-21-16)12-15(11-13)24-17-7-3-5-9-22-17/h10-12,16-17H,2-9H2,1H3
InChIKeyWOXVCUVIXNIOQG-UHFFFAOYSA-N
MW336.38 g/mol
LogP3.28
Rot. Bonds5

About methyl 3,5-bis(oxan-2-yloxy)benzoate

methyl 3,5-bis(oxan-2-yloxy)benzoate (PubChem CID 21305399) has the molecular formula C18H24O6 and a molecular weight of 336.38 g/mol. Its IUPAC name is methyl 3,5-bis(oxan-2-yloxy)benzoate.

Molecular Properties

Compound Namemethyl 3,5-bis(oxan-2-yloxy)benzoate
PubChem CID21305399
Molecular FormulaC18H24O6
Molecular Weight336.38 g/mol
Exact Mass336.16
IUPAC Namemethyl 3,5-bis(oxan-2-yloxy)benzoate
SMILESCOC(=O)c1cc(OC2CCCCO2)cc(OC2CCCCO2)c1
InChIInChI=1S/C18H24O6/c1-20-18(19)13-10-14(23-16-6-2-4-8-21-16)12-15(11-13)24-17-7-3-5-9-22-17/h10-12,16-17H,2-9H2,1H3
InChIKeyWOXVCUVIXNIOQG-UHFFFAOYSA-N
XLogP3.28
TPSA63.22 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.38
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

methane;methyl 6-(oxan-2-yloxy)naphthalene-2-carboxylate;6-(oxan-2-yloxy)naphthalene-2-carboxylic acid
CID 162250703
methyl 2-fluoro-4-(oxan-2-yloxy)benzoate
CID 167443714
methyl 3,5-bis[3-[[3,5-bis[3-(oxan-2-yloxy)propoxy]benzoyl]amino]propoxy]benzoate
CID 10677722
tris(oxan-2-yl) benzene-1,3,5-tricarboxylate
CID 139603181
4-(oxan-2-yloxy)benzoic acid
CID 11183645
methyl 3-(3,3-dimethylbut-1-en-2-yl)-4-(oxan-2-yloxy)benzoate
CID 57467622
2-[3,5-bis(oxolan-2-yloxy)phenyl]acetic acid
CID 71051520
methyl 2-methoxy-5-[[4-(oxan-2-yloxy)phenyl]methylselanylmethyl]benzoate
CID 58884248
2-(3,5-dinitrophenoxy)oxane
CID 71368751
methyl 4-[12-(oxan-2-yloxy)dodecoxy]benzoate
CID 67066837
2-iodo-6-methyl-4-(oxan-2-yloxy)phenol
CID 166783804
2-methoxy-5-(oxan-2-yloxy)phenol
CID 163802207

Frequently Asked Questions

What is the IUPAC name of methyl 3,5-bis(oxan-2-yloxy)benzoate?
The IUPAC name of methyl 3,5-bis(oxan-2-yloxy)benzoate (CID 21305399) is methyl 3,5-bis(oxan-2-yloxy)benzoate.
What is the SMILES notation for methyl 3,5-bis(oxan-2-yloxy)benzoate?
The canonical SMILES for methyl 3,5-bis(oxan-2-yloxy)benzoate is COC(=O)c1cc(OC2CCCCO2)cc(OC2CCCCO2)c1.
What is the InChIKey of methyl 3,5-bis(oxan-2-yloxy)benzoate?
The InChIKey is WOXVCUVIXNIOQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24O6/c1-20-18(19)13-10-14(23-16-6-2-4-8-21-16)12-15(11-13)24-17-7-3-5-9-22-17/h10-12,16-17H,2-9H2,1H3.
What are the key properties of methyl 3,5-bis(oxan-2-yloxy)benzoate?
methyl 3,5-bis(oxan-2-yloxy)benzoate has a molecular weight of 336.38 g/mol, XLogP of 3.28, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3,5-bis(oxan-2-yloxy)benzoate is sourced from PubChem (CID 21305399), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).