8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine

C11H12O2 — CID 143586852

IUPAC8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine
SMILESC/C=C\c1cccc2c1OCOC2
InChIInChI=1S/C11H12O2/c1-2-4-9-5-3-6-10-7-12-8-13-11(9)10/h2-6H,7-8H2,1H3/b4-2-
InChIKeyWGRTUHRPFWQHEB-RQOWECAXSA-N
MW176.22 g/mol
LogP2.59
Rot. Bonds1

About 8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine

8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine (PubChem CID 143586852) has the molecular formula C11H12O2 and a molecular weight of 176.22 g/mol. Its IUPAC name is 8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine.

Molecular Properties

Compound Name8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine
PubChem CID143586852
Molecular FormulaC11H12O2
Molecular Weight176.22 g/mol
Exact Mass176.08
IUPAC Name8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine
SMILESC/C=C\c1cccc2c1OCOC2
InChIInChI=1S/C11H12O2/c1-2-4-9-5-3-6-10-7-12-8-13-11(9)10/h2-6H,7-8H2,1H3/b4-2-
InChIKeyWGRTUHRPFWQHEB-RQOWECAXSA-N
XLogP2.59
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500176.22
LogP ≤ 52.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(Z)-prop-1-enyl]-1,3-benzodioxole
CID 89214713
4-[(E)-prop-1-enyl]-1,3-benzodioxole
CID 102486201
9-[(E)-prop-1-enyl]-2,3,4,5-tetrahydro-1,4-benzoxazepine
CID 68578352
2-(4H-1,3-benzodioxin-8-yl)acetaldehyde
CID 83874823
3-(4H-1,3-benzodioxin-8-yl)propanal
CID 117282869
2-(4H-1,3-benzodioxin-8-yl)ethanamine
CID 82409644
3-(4H-1,3-benzodioxin-8-yl)-2-methylpropan-1-amine
CID 83883224
1-(4H-1,3-benzodioxin-8-ylmethyl)cyclopropan-1-ol
CID 117294676
1,2,3-tris[(Z)-prop-1-enyl]benzene
CID 173113389
1,5-bis(prop-1-enyl)naphthalene
CID 139669430
2,6-bis[(E)-prop-1-enyl]phenol
CID 21472692
(3S)-5-(4H-1,3-benzodioxin-8-yl)-3-methylpiperazin-2-one
CID 82383520

Frequently Asked Questions

What is the IUPAC name of 8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine?
The IUPAC name of 8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine (CID 143586852) is 8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine.
What is the SMILES notation for 8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine?
The canonical SMILES for 8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine is C/C=C\c1cccc2c1OCOC2.
What is the InChIKey of 8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine?
The InChIKey is WGRTUHRPFWQHEB-RQOWECAXSA-N. The full InChI is InChI=1S/C11H12O2/c1-2-4-9-5-3-6-10-7-12-8-13-11(9)10/h2-6H,7-8H2,1H3/b4-2-.
What are the key properties of 8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine?
8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine has a molecular weight of 176.22 g/mol, XLogP of 2.59, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(Z)-prop-1-enyl]-4H-1,3-benzodioxine is sourced from PubChem (CID 143586852), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).