4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan

C13H20O — CID 143679861

IUPAC4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan
SMILESC=CC1=C(/C=C\CCC)OC(C)(C)C1
InChIInChI=1S/C13H20O/c1-5-7-8-9-12-11(6-2)10-13(3,4)14-12/h6,8-9H,2,5,7,10H2,1,3-4H3/b9-8-
InChIKeyUQLMKYBEOAGXBL-HJWRWDBZSA-N
MW192.30 g/mol
LogP3.98
Rot. Bonds4

About 4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan

4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan (PubChem CID 143679861) has the molecular formula C13H20O and a molecular weight of 192.30 g/mol. Its IUPAC name is 4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan.

Molecular Properties

Compound Name4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan
PubChem CID143679861
Molecular FormulaC13H20O
Molecular Weight192.30 g/mol
Exact Mass192.15
IUPAC Name4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan
SMILESC=CC1=C(/C=C\CCC)OC(C)(C)C1
InChIInChI=1S/C13H20O/c1-5-7-8-9-12-11(6-2)10-13(3,4)14-12/h6,8-9H,2,5,7,10H2,1,3-4H3/b9-8-
InChIKeyUQLMKYBEOAGXBL-HJWRWDBZSA-N
XLogP3.98
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500192.30
LogP ≤ 53.98
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan?
The IUPAC name of 4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan (CID 143679861) is 4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan.
What is the SMILES notation for 4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan?
The canonical SMILES for 4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan is C=CC1=C(/C=C\CCC)OC(C)(C)C1.
What is the InChIKey of 4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan?
The InChIKey is UQLMKYBEOAGXBL-HJWRWDBZSA-N. The full InChI is InChI=1S/C13H20O/c1-5-7-8-9-12-11(6-2)10-13(3,4)14-12/h6,8-9H,2,5,7,10H2,1,3-4H3/b9-8-.
What are the key properties of 4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan?
4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan has a molecular weight of 192.30 g/mol, XLogP of 3.98, 4 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4-ethenyl-2,2-dimethyl-5-[(Z)-pent-1-enyl]-3H-furan is sourced from PubChem (CID 143679861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).