ethyl 4-(4-methyloxolan-3-yl)oxypentanoate

C12H22O4 — CID 91483380

IUPACethyl 4-(4-methyloxolan-3-yl)oxypentanoate
SMILESCCOC(=O)CCC(C)OC1COCC1C
InChIInChI=1S/C12H22O4/c1-4-15-12(13)6-5-10(3)16-11-8-14-7-9(11)2/h9-11H,4-8H2,1-3H3
InChIKeyALRGCMIACWYRNF-UHFFFAOYSA-N
MW230.30 g/mol
LogP1.77
Rot. Bonds6

About ethyl 4-(4-methyloxolan-3-yl)oxypentanoate

ethyl 4-(4-methyloxolan-3-yl)oxypentanoate (PubChem CID 91483380) has the molecular formula C12H22O4 and a molecular weight of 230.30 g/mol. Its IUPAC name is ethyl 4-(4-methyloxolan-3-yl)oxypentanoate.

Molecular Properties

Compound Nameethyl 4-(4-methyloxolan-3-yl)oxypentanoate
PubChem CID91483380
Molecular FormulaC12H22O4
Molecular Weight230.30 g/mol
Exact Mass230.15
IUPAC Nameethyl 4-(4-methyloxolan-3-yl)oxypentanoate
SMILESCCOC(=O)CCC(C)OC1COCC1C
InChIInChI=1S/C12H22O4/c1-4-15-12(13)6-5-10(3)16-11-8-14-7-9(11)2/h9-11H,4-8H2,1-3H3
InChIKeyALRGCMIACWYRNF-UHFFFAOYSA-N
XLogP1.77
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.30
LogP ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 4-(4-methyloxolan-3-yl)oxypentanoate?
The IUPAC name of ethyl 4-(4-methyloxolan-3-yl)oxypentanoate (CID 91483380) is ethyl 4-(4-methyloxolan-3-yl)oxypentanoate.
What is the SMILES notation for ethyl 4-(4-methyloxolan-3-yl)oxypentanoate?
The canonical SMILES for ethyl 4-(4-methyloxolan-3-yl)oxypentanoate is CCOC(=O)CCC(C)OC1COCC1C.
What is the InChIKey of ethyl 4-(4-methyloxolan-3-yl)oxypentanoate?
The InChIKey is ALRGCMIACWYRNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O4/c1-4-15-12(13)6-5-10(3)16-11-8-14-7-9(11)2/h9-11H,4-8H2,1-3H3.
What are the key properties of ethyl 4-(4-methyloxolan-3-yl)oxypentanoate?
ethyl 4-(4-methyloxolan-3-yl)oxypentanoate has a molecular weight of 230.30 g/mol, XLogP of 1.77, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-(4-methyloxolan-3-yl)oxypentanoate is sourced from PubChem (CID 91483380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).