5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole

C14H18O4 — CID 11096999

IUPAC5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole
SMILESCCOC1CC(Cc2ccc3c(c2)OCO3)CO1
InChIInChI=1S/C14H18O4/c1-2-15-14-7-11(8-16-14)5-10-3-4-12-13(6-10)18-9-17-12/h3-4,6,11,14H,2,5,7-9H2,1H3
InChIKeyGSTVZHVVBOWQQP-UHFFFAOYSA-N
MW250.29 g/mol
LogP2.36
Rot. Bonds4

About 5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole

5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole (PubChem CID 11096999) has the molecular formula C14H18O4 and a molecular weight of 250.29 g/mol. Its IUPAC name is 5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole.

Molecular Properties

Compound Name5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole
PubChem CID11096999
Molecular FormulaC14H18O4
Molecular Weight250.29 g/mol
Exact Mass250.12
IUPAC Name5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole
SMILESCCOC1CC(Cc2ccc3c(c2)OCO3)CO1
InChIInChI=1S/C14H18O4/c1-2-15-14-7-11(8-16-14)5-10-3-4-12-13(6-10)18-9-17-12/h3-4,6,11,14H,2,5,7-9H2,1H3
InChIKeyGSTVZHVVBOWQQP-UHFFFAOYSA-N
XLogP2.36
TPSA36.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.29
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[(2S,3R,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-ethoxyoxolan-3-yl]methyl]-1,3-benzodioxole
CID 162953579
5-[[(3S,4S)-4-(1,3-benzodioxol-5-ylmethyl)-2-methoxyoxolan-3-yl]methyl]-1,3-benzodioxole
CID 59800034
4-(1,3-benzodioxol-5-ylmethyl)piperidine
CID 17039498
5-[(5-butoxy-2,2-dimethyloxolan-3-yl)methyl]-1,3-benzodioxole
CID 11449628
5-(2-ethoxyethyl)-1,3-benzodioxole
CID 122402641
3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol;N,N-dimethylethanamine;hydrochloride
CID 68870101
[(2R,3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-2-propan-2-yloxyoxolan-3-yl]methanol
CID 10957359
1-(1,3-benzodioxol-5-yl)propan-2-ol;5-(oxiran-2-ylmethyl)-1,3-benzodioxole
CID 174391845
acetic acid;3,4-bis(1,3-benzodioxol-5-ylmethyl)oxolan-2-ol
CID 71402885
3-(1,3-benzodioxol-5-ylmethyl)-4-[(3,4-dimethoxyphenyl)methyl]oxolan-2-ol
CID 14137606
[(3R)-3-(1,3-benzodioxol-5-ylmethyl)cyclobuten-1-yl]oxy-triethylsilane
CID 11723441
(3S,4R)-4-(1,3-benzodioxol-5-ylmethyl)-3-(trimethylstannylmethyl)oxolan-2-one
CID 10927404

Frequently Asked Questions

What is the IUPAC name of 5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole?
The IUPAC name of 5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole (CID 11096999) is 5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole.
What is the SMILES notation for 5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole?
The canonical SMILES for 5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole is CCOC1CC(Cc2ccc3c(c2)OCO3)CO1.
What is the InChIKey of 5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole?
The InChIKey is GSTVZHVVBOWQQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O4/c1-2-15-14-7-11(8-16-14)5-10-3-4-12-13(6-10)18-9-17-12/h3-4,6,11,14H,2,5,7-9H2,1H3.
What are the key properties of 5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole?
5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole has a molecular weight of 250.29 g/mol, XLogP of 2.36, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(5-ethoxyoxolan-3-yl)methyl]-1,3-benzodioxole is sourced from PubChem (CID 11096999), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).