6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine

C12H14O2 — CID 89352282

IUPAC6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine
SMILESC=C(CC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H14O2/c1-3-9(2)10-4-5-11-12(8-10)14-7-6-13-11/h4-5,8H,2-3,6-7H2,1H3
InChIKeySHOVMTCQWPHLNN-UHFFFAOYSA-N
MW190.24 g/mol
LogP2.88
Rot. Bonds2

About 6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine

6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine (PubChem CID 89352282) has the molecular formula C12H14O2 and a molecular weight of 190.24 g/mol. Its IUPAC name is 6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine.

Molecular Properties

Compound Name6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine
PubChem CID89352282
Molecular FormulaC12H14O2
Molecular Weight190.24 g/mol
Exact Mass190.10
IUPAC Name6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine
SMILESC=C(CC)c1ccc2c(c1)OCCO2
InChIInChI=1S/C12H14O2/c1-3-9(2)10-4-5-11-12(8-10)14-7-6-13-11/h4-5,8H,2-3,6-7H2,1H3
InChIKeySHOVMTCQWPHLNN-UHFFFAOYSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.24
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

6-but-1-en-2-yl-2,3-dihydro-1-benzofuran
CID 145466674
N-ethyl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 134057917
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-hydroxybutan-1-one
CID 103453009
N-[1-(2,3-dihydro-1,4-benzodioxin-6-yl)ethylidene]hydroxylamine
CID 3146849
ethyl 2,3,5,6-tetrahydro-1,4,7-benzotrioxonine-9-carboxylate
CID 138479505
N-butan-2-yl-N-methyl-2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 121451464
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-ethyl-2-methoxybutan-1-one
CID 116747641
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3-methylpentan-1-one
CID 114873952
diethyl 2,5,8,15,18,21-hexaoxatricyclo[20.4.0.09,14]hexacosa-1(22),9(14),10,12,23,25-hexaene-11,24-dicarboxylate
CID 3590202
2,3-dihydro-1,4-benzodioxine-6-carboxamide
CID 659279
1-(2,3-dihydro-1,4-benzodioxin-6-yl)-3,3,3-trifluoropropan-1-one
CID 43159876
4-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-oxobutanamide
CID 47005588

Frequently Asked Questions

What is the IUPAC name of 6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine?
The IUPAC name of 6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine (CID 89352282) is 6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine.
What is the SMILES notation for 6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine?
The canonical SMILES for 6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine is C=C(CC)c1ccc2c(c1)OCCO2.
What is the InChIKey of 6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine?
The InChIKey is SHOVMTCQWPHLNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14O2/c1-3-9(2)10-4-5-11-12(8-10)14-7-6-13-11/h4-5,8H,2-3,6-7H2,1H3.
What are the key properties of 6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine?
6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine has a molecular weight of 190.24 g/mol, XLogP of 2.88, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-but-1-en-2-yl-2,3-dihydro-1,4-benzodioxine is sourced from PubChem (CID 89352282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).