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

C14H26O2 — CID 12541153

IUPAC2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane
SMILESCCCCC/C(C)=C/CCC1(C)OCCO1
InChIInChI=1S/C14H26O2/c1-4-5-6-8-13(2)9-7-10-14(3)15-11-12-16-14/h9H,4-8,10-12H2,1-3H3/b13-9+
InChIKeyORQOFNSWZQFQJU-UKTHLTGXSA-N
MW226.36 g/mol
LogP4.06
Rot. Bonds7

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

2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane (PubChem CID 12541153) has the molecular formula C14H26O2 and a molecular weight of 226.36 g/mol. Its IUPAC name is 2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane
PubChem CID12541153
Molecular FormulaC14H26O2
Molecular Weight226.36 g/mol
Exact Mass226.19
IUPAC Name2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane
SMILESCCCCC/C(C)=C/CCC1(C)OCCO1
InChIInChI=1S/C14H26O2/c1-4-5-6-8-13(2)9-7-10-14(3)15-11-12-16-14/h9H,4-8,10-12H2,1-3H3/b13-9+
InChIKeyORQOFNSWZQFQJU-UKTHLTGXSA-N
XLogP4.06
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.36
LogP ≤ 54.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane?
The IUPAC name of 2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane (CID 12541153) is 2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane?
The canonical SMILES for 2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane is CCCCC/C(C)=C/CCC1(C)OCCO1.
What is the InChIKey of 2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane?
The InChIKey is ORQOFNSWZQFQJU-UKTHLTGXSA-N. The full InChI is InChI=1S/C14H26O2/c1-4-5-6-8-13(2)9-7-10-14(3)15-11-12-16-14/h9H,4-8,10-12H2,1-3H3/b13-9+.
What are the key properties of 2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane?
2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane has a molecular weight of 226.36 g/mol, XLogP of 4.06, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(E)-4-methylnon-3-enyl]-1,3-dioxolane is sourced from PubChem (CID 12541153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).