formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole

C11H12O3 — CID 6442051

IUPACformaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole
SMILESC/C=C/c1ccc2c(c1)OCO2.C=O
InChIInChI=1S/C10H10O2.CH2O/c1-2-3-8-4-5-9-10(6-8)12-7-11-9;1-2/h2-6H,7H2,1H3;1H2/b3-2+;
InChIKeyLCJWZZPVKHPAMV-SQQVDAMQSA-N
MW192.21 g/mol
LogP2.26
Rot. Bonds1

About formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole

formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole (PubChem CID 6442051) has the molecular formula C11H12O3 and a molecular weight of 192.21 g/mol. Its IUPAC name is formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole.

Molecular Properties

Compound Nameformaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole
PubChem CID6442051
Molecular FormulaC11H12O3
Molecular Weight192.21 g/mol
Exact Mass192.08
IUPAC Nameformaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole
SMILESC/C=C/c1ccc2c(c1)OCO2.C=O
InChIInChI=1S/C10H10O2.CH2O/c1-2-3-8-4-5-9-10(6-8)12-7-11-9;1-2/h2-6H,7H2,1H3;1H2/b3-2+;
InChIKeyLCJWZZPVKHPAMV-SQQVDAMQSA-N
XLogP2.26
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.21
LogP ≤ 52.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(Z)-4-(1,3-benzodioxol-5-yl)but-3-en-2-one
CID 5385558
(E)-3-(1,3-benzodioxol-5-yl)prop-2-enal
CID 5374493
5-[(Z)-2-bromoethenyl]-1,3-benzodioxole
CID 11310703
N-[3-(1,3-benzodioxol-5-yl)prop-2-enyl]acetamide
CID 169465574
4-[(E)-2-(1,3-benzodioxol-5-yl)ethenyl]-1-methylpyridin-1-ium
CID 788688
5-(1,3-benzodioxol-5-yl)-N,N-dimethylpenta-2,4-dienamide
CID 3065846
(E)-3-(1,3-benzodioxol-5-yl)-2-methylprop-2-enal;ethane
CID 143300593
5-(3-phenylprop-1-enyl)-1,3-benzodioxole
CID 154074400
[(E)-3-(1,3-benzodioxol-5-yl)prop-2-enyl] methyl carbonate
CID 101356088
14-(1,3-benzodioxol-5-yl)tetradec-13-en-2-one
CID 71417054
5-propa-1,2-dienyl-1,3-benzodioxole
CID 15640577
(E)-4-(1,3-benzodioxol-5-yl)-1-(dimethylamino)but-3-en-2-ol
CID 145453443

Frequently Asked Questions

What is the IUPAC name of formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole?
The IUPAC name of formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole (CID 6442051) is formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole.
What is the SMILES notation for formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole?
The canonical SMILES for formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole is C/C=C/c1ccc2c(c1)OCO2.C=O.
What is the InChIKey of formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole?
The InChIKey is LCJWZZPVKHPAMV-SQQVDAMQSA-N. The full InChI is InChI=1S/C10H10O2.CH2O/c1-2-3-8-4-5-9-10(6-8)12-7-11-9;1-2/h2-6H,7H2,1H3;1H2/b3-2+;.
What are the key properties of formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole?
formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole has a molecular weight of 192.21 g/mol, XLogP of 2.26, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for formaldehyde;5-[(E)-prop-1-enyl]-1,3-benzodioxole is sourced from PubChem (CID 6442051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).