3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane

C19H36O — CID 142939929

IUPAC3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane
SMILESC/C=C\c1oc(C=C(C)C)c(C)c1C.CC.CC.CC
InChIInChI=1S/C13H18O.3C2H6/c1-6-7-12-10(4)11(5)13(14-12)8-9(2)3;3*1-2/h6-8H,1-5H3;3*1-2H3/b7-6-;;;
InChIKeyDWHCBLKKXWFPIQ-YYFHNNNUSA-N
MW280.50 g/mol
LogP7.43
Rot. Bonds2

About 3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane

3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane (PubChem CID 142939929) has the molecular formula C19H36O and a molecular weight of 280.50 g/mol. Its IUPAC name is 3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane.

Molecular Properties

Compound Name3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane
PubChem CID142939929
Molecular FormulaC19H36O
Molecular Weight280.50 g/mol
Exact Mass280.28
IUPAC Name3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane
SMILESC/C=C\c1oc(C=C(C)C)c(C)c1C.CC.CC.CC
InChIInChI=1S/C13H18O.3C2H6/c1-6-7-12-10(4)11(5)13(14-12)8-9(2)3;3*1-2/h6-8H,1-5H3;3*1-2H3/b7-6-;;;
InChIKeyDWHCBLKKXWFPIQ-YYFHNNNUSA-N
XLogP7.43
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.50
LogP ≤ 57.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane?
The IUPAC name of 3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane (CID 142939929) is 3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane.
What is the SMILES notation for 3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane?
The canonical SMILES for 3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane is C/C=C\c1oc(C=C(C)C)c(C)c1C.CC.CC.CC.
What is the InChIKey of 3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane?
The InChIKey is DWHCBLKKXWFPIQ-YYFHNNNUSA-N. The full InChI is InChI=1S/C13H18O.3C2H6/c1-6-7-12-10(4)11(5)13(14-12)8-9(2)3;3*1-2/h6-8H,1-5H3;3*1-2H3/b7-6-;;;.
What are the key properties of 3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane?
3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane has a molecular weight of 280.50 g/mol, XLogP of 7.43, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-2-(2-methylprop-1-enyl)-5-[(Z)-prop-1-enyl]furan;ethane is sourced from PubChem (CID 142939929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).