2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane

C15H20O2 — CID 169171933

IUPAC2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane
SMILESC/C(=C/c1ccc(C)cc1)CCC1OCCO1
InChIInChI=1S/C15H20O2/c1-12-3-6-14(7-4-12)11-13(2)5-8-15-16-9-10-17-15/h3-4,6-7,11,15H,5,8-10H2,1-2H3/b13-11-
InChIKeyHYDVRFHMJRNVLW-QBFSEMIESA-N
MW232.32 g/mol
LogP3.55
Rot. Bonds4

About 2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane

2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane (PubChem CID 169171933) has the molecular formula C15H20O2 and a molecular weight of 232.32 g/mol. Its IUPAC name is 2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane
PubChem CID169171933
Molecular FormulaC15H20O2
Molecular Weight232.32 g/mol
Exact Mass232.15
IUPAC Name2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane
SMILESC/C(=C/c1ccc(C)cc1)CCC1OCCO1
InChIInChI=1S/C15H20O2/c1-12-3-6-14(7-4-12)11-13(2)5-8-15-16-9-10-17-15/h3-4,6-7,11,15H,5,8-10H2,1-2H3/b13-11-
InChIKeyHYDVRFHMJRNVLW-QBFSEMIESA-N
XLogP3.55
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.32
LogP ≤ 53.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane?
The IUPAC name of 2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane (CID 169171933) is 2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane is C/C(=C/c1ccc(C)cc1)CCC1OCCO1.
What is the InChIKey of 2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane?
The InChIKey is HYDVRFHMJRNVLW-QBFSEMIESA-N. The full InChI is InChI=1S/C15H20O2/c1-12-3-6-14(7-4-12)11-13(2)5-8-15-16-9-10-17-15/h3-4,6-7,11,15H,5,8-10H2,1-2H3/b13-11-.
What are the key properties of 2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane?
2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane has a molecular weight of 232.32 g/mol, XLogP of 3.55, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(Z)-3-methyl-4-(4-methylphenyl)but-3-enyl]-1,3-dioxolane is sourced from PubChem (CID 169171933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).