5-[(E)-2-chloroprop-1-enyl]-6-ethenyl-2,3-dihydro-1,4-dioxine

C9H11ClO2 — CID 172606978

IUPAC5-[(E)-2-chloroprop-1-enyl]-6-ethenyl-2,3-dihydro-1,4-dioxine
SMILESC=CC1=C(/C=C(\C)Cl)OCCO1
InChIInChI=1S/C9H11ClO2/c1-3-8-9(6-7(2)10)12-5-4-11-8/h3,6H,1,4-5H2,2H3/b7-6+
InChIKeyJQYUJGTVSXPVQQ-VOTSOKGWSA-N
MW186.64 g/mol
LogP2.57
Rot. Bonds2

About 5-[(E)-2-chloroprop-1-enyl]-6-ethenyl-2,3-dihydro-1,4-dioxine

5-[(E)-2-chloroprop-1-enyl]-6-ethenyl-2,3-dihydro-1,4-dioxine (PubChem CID 172606978) has the molecular formula C9H11ClO2 and a molecular weight of 186.64 g/mol. Its IUPAC name is 5-[(E)-2-chloroprop-1-enyl]-6-ethenyl-2,3-dihydro-1,4-dioxine.

Molecular Properties

Compound Name5-[(E)-2-chloroprop-1-enyl]-6-ethenyl-2,3-dihydro-1,4-dioxine
PubChem CID172606978
Molecular FormulaC9H11ClO2
Molecular Weight186.64 g/mol
Exact Mass186.04
IUPAC Name5-[(E)-2-chloroprop-1-enyl]-6-ethenyl-2,3-dihydro-1,4-dioxine
SMILESC=CC1=C(/C=C(\C)Cl)OCCO1
InChIInChI=1S/C9H11ClO2/c1-3-8-9(6-7(2)10)12-5-4-11-8/h3,6H,1,4-5H2,2H3/b7-6+
InChIKeyJQYUJGTVSXPVQQ-VOTSOKGWSA-N
XLogP2.57
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.64
LogP ≤ 52.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

2,3-bis(ethenyl)-6,7-dihydro-5H-1,4-dioxepine;ethane
CID 168899023
2,3-bis(ethenyl)-6,6-dimethyl-5,7-dihydro-1,4-dioxepine
CID 156792165
5,6-bis(ethenyl)-4-ethyl-2,3-dihydro-1,4-oxazine
CID 144557216
4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole
CID 139322701
4-ethenyl-2,2-difluoro-5-(2-methylprop-1-enyl)-1,3-dioxole
CID 162613975
5,6-bis(ethenyl)-4-methyl-2,3-dihydro-1,4-oxazine
CID 143157637
5-[(E)-2-chloroprop-1-enyl]-6-methyl-3,4-dihydro-2H-pyran-4-thiol;ethane
CID 156882011
5-[(E)-2-chloroprop-1-enyl]-6-propan-2-yl-3,4-dihydro-2H-pyran
CID 166654809
5,6-bis(ethenyl)-2-methyl-2,3-dihydro-1,4-dioxine
CID 142091973
but-1-ene;ethane;2-ethenyl-3-[(Z)-prop-1-enyl]-6,7-dihydro-5H-1,4-dioxepine;propane
CID 177189450
4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran
CID 90300199
6-ethenyl-5-[(Z)-prop-1-enyl]-3,4-dihydro-2H-pyran
CID 70273510

Frequently Asked Questions

What is the IUPAC name of 5-[(E)-2-chloroprop-1-enyl]-6-ethenyl-2,3-dihydro-1,4-dioxine?
The IUPAC name of 5-[(E)-2-chloroprop-1-enyl]-6-ethenyl-2,3-dihydro-1,4-dioxine (CID 172606978) is 5-[(E)-2-chloroprop-1-enyl]-6-ethenyl-2,3-dihydro-1,4-dioxine.
What is the SMILES notation for 5-[(E)-2-chloroprop-1-enyl]-6-ethenyl-2,3-dihydro-1,4-dioxine?
The canonical SMILES for 5-[(E)-2-chloroprop-1-enyl]-6-ethenyl-2,3-dihydro-1,4-dioxine is C=CC1=C(/C=C(\C)Cl)OCCO1.
What is the InChIKey of 5-[(E)-2-chloroprop-1-enyl]-6-ethenyl-2,3-dihydro-1,4-dioxine?
The InChIKey is JQYUJGTVSXPVQQ-VOTSOKGWSA-N. The full InChI is InChI=1S/C9H11ClO2/c1-3-8-9(6-7(2)10)12-5-4-11-8/h3,6H,1,4-5H2,2H3/b7-6+.
What are the key properties of 5-[(E)-2-chloroprop-1-enyl]-6-ethenyl-2,3-dihydro-1,4-dioxine?
5-[(E)-2-chloroprop-1-enyl]-6-ethenyl-2,3-dihydro-1,4-dioxine has a molecular weight of 186.64 g/mol, XLogP of 2.57, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(E)-2-chloroprop-1-enyl]-6-ethenyl-2,3-dihydro-1,4-dioxine is sourced from PubChem (CID 172606978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).