4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,3-dioxole

C9H14O2 — CID 143193856

IUPAC4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,3-dioxole
SMILESCC1=C(/C=C\C(C)C)OCO1
InChIInChI=1S/C9H14O2/c1-7(2)4-5-9-8(3)10-6-11-9/h4-5,7H,6H2,1-3H3/b5-4-
InChIKeyPHEVADHRRAAYAP-PLNGDYQASA-N
MW154.21 g/mol
LogP2.43
Rot. Bonds2

About 4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,3-dioxole

4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,3-dioxole (PubChem CID 143193856) has the molecular formula C9H14O2 and a molecular weight of 154.21 g/mol. Its IUPAC name is 4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,3-dioxole.

Molecular Properties

Compound Name4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,3-dioxole
PubChem CID143193856
Molecular FormulaC9H14O2
Molecular Weight154.21 g/mol
Exact Mass154.10
IUPAC Name4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,3-dioxole
SMILESCC1=C(/C=C\C(C)C)OCO1
InChIInChI=1S/C9H14O2/c1-7(2)4-5-9-8(3)10-6-11-9/h4-5,7H,6H2,1-3H3/b5-4-
InChIKeyPHEVADHRRAAYAP-PLNGDYQASA-N
XLogP2.43
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.21
LogP ≤ 52.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-ethenyl-5-[(E)-3-methylbut-1-enyl]-1,3-dioxole
CID 139322701
4,5-dimethyl-1,3-dioxole
CID 13058524
1,2-dimethyl-3-[(Z)-3-methylbut-1-enyl]benzene
CID 143027707
1-methyl-2-[(Z)-3-methylbut-1-enyl]cyclohexa-1,3-diene
CID 145498345
1-(1,3-benzodioxol-5-yl)-4-methylpent-1-en-3-ol
CID 3045182
(Z)-N-(5-ethenyl-1,3-dioxol-4-yl)ethanimine
CID 145064608
1,1,4,4-tetramethyl-6-[(E)-3-methylbut-1-enyl]-2,3-dihydronaphthalene
CID 101087117
4-(4,4-dimethylpent-1-enyl)-5-prop-1-enyl-1,3-dioxole
CID 91221875
5-methyl-3-[(E)-3-methylbut-1-enyl]-4-nitro-1,2-oxazole
CID 16777571
1,3-dichloro-5-[(E)-3-methylbut-1-enyl]benzene
CID 67988300
4,7-dimethyl-5,6-dihydro-1,3-benzodioxole
CID 143987366
4,5-dimethoxy-1,3-dioxole
CID 141112983

Frequently Asked Questions

What is the IUPAC name of 4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,3-dioxole?
The IUPAC name of 4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,3-dioxole (CID 143193856) is 4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,3-dioxole.
What is the SMILES notation for 4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,3-dioxole?
The canonical SMILES for 4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,3-dioxole is CC1=C(/C=C\C(C)C)OCO1.
What is the InChIKey of 4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,3-dioxole?
The InChIKey is PHEVADHRRAAYAP-PLNGDYQASA-N. The full InChI is InChI=1S/C9H14O2/c1-7(2)4-5-9-8(3)10-6-11-9/h4-5,7H,6H2,1-3H3/b5-4-.
What are the key properties of 4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,3-dioxole?
4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,3-dioxole has a molecular weight of 154.21 g/mol, XLogP of 2.43, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-5-[(Z)-3-methylbut-1-enyl]-1,3-dioxole is sourced from PubChem (CID 143193856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).