2-[(E)-2,6-dimethylhept-1-enyl]-4-methyl-1,3-dioxolane

C13H24O2 — CID 90242072

IUPAC2-[(E)-2,6-dimethylhept-1-enyl]-4-methyl-1,3-dioxolane
SMILESC/C(=C\C1OCC(C)O1)CCCC(C)C
InChIInChI=1S/C13H24O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h8,10,12-13H,5-7,9H2,1-4H3/b11-8+
InChIKeyFSNCRIAPXDIDLV-DHZHZOJOSA-N
MW212.33 g/mol
LogP3.52
Rot. Bonds5

About 2-[(E)-2,6-dimethylhept-1-enyl]-4-methyl-1,3-dioxolane

2-[(E)-2,6-dimethylhept-1-enyl]-4-methyl-1,3-dioxolane (PubChem CID 90242072) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is 2-[(E)-2,6-dimethylhept-1-enyl]-4-methyl-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-2,6-dimethylhept-1-enyl]-4-methyl-1,3-dioxolane
PubChem CID90242072
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name2-[(E)-2,6-dimethylhept-1-enyl]-4-methyl-1,3-dioxolane
SMILESC/C(=C\C1OCC(C)O1)CCCC(C)C
InChIInChI=1S/C13H24O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h8,10,12-13H,5-7,9H2,1-4H3/b11-8+
InChIKeyFSNCRIAPXDIDLV-DHZHZOJOSA-N
XLogP3.52
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(E)-2,6-dimethylhept-1-enyl]-4-methyl-1,3-dioxolane?
The IUPAC name of 2-[(E)-2,6-dimethylhept-1-enyl]-4-methyl-1,3-dioxolane (CID 90242072) is 2-[(E)-2,6-dimethylhept-1-enyl]-4-methyl-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-2,6-dimethylhept-1-enyl]-4-methyl-1,3-dioxolane?
The canonical SMILES for 2-[(E)-2,6-dimethylhept-1-enyl]-4-methyl-1,3-dioxolane is C/C(=C\C1OCC(C)O1)CCCC(C)C.
What is the InChIKey of 2-[(E)-2,6-dimethylhept-1-enyl]-4-methyl-1,3-dioxolane?
The InChIKey is FSNCRIAPXDIDLV-DHZHZOJOSA-N. The full InChI is InChI=1S/C13H24O2/c1-10(2)6-5-7-11(3)8-13-14-9-12(4)15-13/h8,10,12-13H,5-7,9H2,1-4H3/b11-8+.
What are the key properties of 2-[(E)-2,6-dimethylhept-1-enyl]-4-methyl-1,3-dioxolane?
2-[(E)-2,6-dimethylhept-1-enyl]-4-methyl-1,3-dioxolane has a molecular weight of 212.33 g/mol, XLogP of 3.52, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(E)-2,6-dimethylhept-1-enyl]-4-methyl-1,3-dioxolane is sourced from PubChem (CID 90242072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).