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

C12H22O2 — CID 89208750

IUPAC2-[(E)-2,6-dimethylhept-1-enyl]-1,3-dioxolane
SMILESC/C(=C\C1OCCO1)CCCC(C)C
InChIInChI=1S/C12H22O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h9-10,12H,4-8H2,1-3H3/b11-9+
InChIKeyNWNMOZOUUDGXDQ-PKNBQFBNSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds5

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

2-[(E)-2,6-dimethylhept-1-enyl]-1,3-dioxolane (PubChem CID 89208750) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(E)-2,6-dimethylhept-1-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(E)-2,6-dimethylhept-1-enyl]-1,3-dioxolane
PubChem CID89208750
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[(E)-2,6-dimethylhept-1-enyl]-1,3-dioxolane
SMILESC/C(=C\C1OCCO1)CCCC(C)C
InChIInChI=1S/C12H22O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h9-10,12H,4-8H2,1-3H3/b11-9+
InChIKeyNWNMOZOUUDGXDQ-PKNBQFBNSA-N
XLogP3.13
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.13
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]-1,3-dioxolane?
The IUPAC name of 2-[(E)-2,6-dimethylhept-1-enyl]-1,3-dioxolane (CID 89208750) is 2-[(E)-2,6-dimethylhept-1-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(E)-2,6-dimethylhept-1-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[(E)-2,6-dimethylhept-1-enyl]-1,3-dioxolane is C/C(=C\C1OCCO1)CCCC(C)C.
What is the InChIKey of 2-[(E)-2,6-dimethylhept-1-enyl]-1,3-dioxolane?
The InChIKey is NWNMOZOUUDGXDQ-PKNBQFBNSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h9-10,12H,4-8H2,1-3H3/b11-9+.
What are the key properties of 2-[(E)-2,6-dimethylhept-1-enyl]-1,3-dioxolane?
2-[(E)-2,6-dimethylhept-1-enyl]-1,3-dioxolane has a molecular weight of 198.31 g/mol, XLogP of 3.13, 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]-1,3-dioxolane is sourced from PubChem (CID 89208750), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).