4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran

C9H13ClO — CID 90300199

IUPAC4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran
SMILESCC1=C(/C=C(\C)Cl)C(C)CO1
InChIInChI=1S/C9H13ClO/c1-6-5-11-8(3)9(6)4-7(2)10/h4,6H,5H2,1-3H3/b7-4+
InChIKeyHNLCZDLYPPIUAV-QPJJXVBHSA-N
MW172.66 g/mol
LogP3.07
Rot. Bonds1

About 4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran

4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran (PubChem CID 90300199) has the molecular formula C9H13ClO and a molecular weight of 172.66 g/mol. Its IUPAC name is 4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran.

Molecular Properties

Compound Name4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran
PubChem CID90300199
Molecular FormulaC9H13ClO
Molecular Weight172.66 g/mol
Exact Mass172.07
IUPAC Name4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran
SMILESCC1=C(/C=C(\C)Cl)C(C)CO1
InChIInChI=1S/C9H13ClO/c1-6-5-11-8(3)9(6)4-7(2)10/h4,6H,5H2,1-3H3/b7-4+
InChIKeyHNLCZDLYPPIUAV-QPJJXVBHSA-N
XLogP3.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.66
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran?
The IUPAC name of 4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran (CID 90300199) is 4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran.
What is the SMILES notation for 4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran?
The canonical SMILES for 4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran is CC1=C(/C=C(\C)Cl)C(C)CO1.
What is the InChIKey of 4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran?
The InChIKey is HNLCZDLYPPIUAV-QPJJXVBHSA-N. The full InChI is InChI=1S/C9H13ClO/c1-6-5-11-8(3)9(6)4-7(2)10/h4,6H,5H2,1-3H3/b7-4+.
What are the key properties of 4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran?
4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran has a molecular weight of 172.66 g/mol, XLogP of 3.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(E)-2-chloroprop-1-enyl]-3,5-dimethyl-2,3-dihydrofuran is sourced from PubChem (CID 90300199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).