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

C11H20O2 — CID 12541152

IUPAC2-methyl-2-[(Z)-4-methylhex-3-enyl]-1,3-dioxolane
SMILESCC/C(C)=C\CCC1(C)OCCO1
InChIInChI=1S/C11H20O2/c1-4-10(2)6-5-7-11(3)12-8-9-13-11/h6H,4-5,7-9H2,1-3H3/b10-6-
InChIKeyUAIHTQDQFHNFIX-POHAHGRESA-N
MW184.28 g/mol
LogP2.89
Rot. Bonds4

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

2-methyl-2-[(Z)-4-methylhex-3-enyl]-1,3-dioxolane (PubChem CID 12541152) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is 2-methyl-2-[(Z)-4-methylhex-3-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(Z)-4-methylhex-3-enyl]-1,3-dioxolane
PubChem CID12541152
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name2-methyl-2-[(Z)-4-methylhex-3-enyl]-1,3-dioxolane
SMILESCC/C(C)=C\CCC1(C)OCCO1
InChIInChI=1S/C11H20O2/c1-4-10(2)6-5-7-11(3)12-8-9-13-11/h6H,4-5,7-9H2,1-3H3/b10-6-
InChIKeyUAIHTQDQFHNFIX-POHAHGRESA-N
XLogP2.89
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2,4-Dimethyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
CID 109257
2,6-Dimethyl-5-heptenal propylene glycol acetal
CID 44153717
2-Methyl-2-(4-methylpent-3-enyl)-1,3-dioxolane
CID 77280
2-methyl-2-[(3E)-3-pentenyl]-1,3-dioxolane
CID 12486424
2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane
CID 12541153
2-methyl-2-[(E)-4-methylhex-3-enyl]-1,3-dioxolane
CID 12541151
7-Methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13214222
2,2-Bis(2-methylprop-1-enyl)-1,3-dioxolane
CID 23064938
2-[(3E)-4,8-dimethylnona-3,7-dienyl]-2-methyl-1,3-dioxolane
CID 24859456
1,3-Dioxolane, 2-(3,7-dimethyl-2,6-octadien-1-yl)-
CID 6441536
2-[(E)-hept-4-enyl]-2-methyl-1,3-dioxolane
CID 11074074
8-Methyl-1,4-dioxaspiro[4.5]dec-7-ene
CID 13023893

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(Z)-4-methylhex-3-enyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(Z)-4-methylhex-3-enyl]-1,3-dioxolane (CID 12541152) is 2-methyl-2-[(Z)-4-methylhex-3-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(Z)-4-methylhex-3-enyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(Z)-4-methylhex-3-enyl]-1,3-dioxolane is CC/C(C)=C\CCC1(C)OCCO1.
What is the InChIKey of 2-methyl-2-[(Z)-4-methylhex-3-enyl]-1,3-dioxolane?
The InChIKey is UAIHTQDQFHNFIX-POHAHGRESA-N. The full InChI is InChI=1S/C11H20O2/c1-4-10(2)6-5-7-11(3)12-8-9-13-11/h6H,4-5,7-9H2,1-3H3/b10-6-.
What are the key properties of 2-methyl-2-[(Z)-4-methylhex-3-enyl]-1,3-dioxolane?
2-methyl-2-[(Z)-4-methylhex-3-enyl]-1,3-dioxolane has a molecular weight of 184.28 g/mol, XLogP of 2.89, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(Z)-4-methylhex-3-enyl]-1,3-dioxolane is sourced from PubChem (CID 12541152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).