2-[(2R)-2,6-dimethylhept-5-enyl]-1,3-dioxolane

C12H22O2 — CID 11095602

IUPAC2-[(2R)-2,6-dimethylhept-5-enyl]-1,3-dioxolane
SMILESCC(C)=CCC[C@@H](C)CC1OCCO1
InChIInChI=1S/C12H22O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,11-12H,4,6-9H2,1-3H3/t11-/m1/s1
InChIKeyKCHXLUDCEMDEFL-LLVKDONJSA-N
MW198.31 g/mol
LogP3.13
Rot. Bonds5

About 2-[(2R)-2,6-dimethylhept-5-enyl]-1,3-dioxolane

2-[(2R)-2,6-dimethylhept-5-enyl]-1,3-dioxolane (PubChem CID 11095602) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is 2-[(2R)-2,6-dimethylhept-5-enyl]-1,3-dioxolane.

Molecular Properties

Compound Name2-[(2R)-2,6-dimethylhept-5-enyl]-1,3-dioxolane
PubChem CID11095602
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name2-[(2R)-2,6-dimethylhept-5-enyl]-1,3-dioxolane
SMILESCC(C)=CCC[C@@H](C)CC1OCCO1
InChIInChI=1S/C12H22O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,11-12H,4,6-9H2,1-3H3/t11-/m1/s1
InChIKeyKCHXLUDCEMDEFL-LLVKDONJSA-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-[(2R)-2,6-dimethylhept-5-enyl]-1,3-dioxolane?
The IUPAC name of 2-[(2R)-2,6-dimethylhept-5-enyl]-1,3-dioxolane (CID 11095602) is 2-[(2R)-2,6-dimethylhept-5-enyl]-1,3-dioxolane.
What is the SMILES notation for 2-[(2R)-2,6-dimethylhept-5-enyl]-1,3-dioxolane?
The canonical SMILES for 2-[(2R)-2,6-dimethylhept-5-enyl]-1,3-dioxolane is CC(C)=CCC[C@@H](C)CC1OCCO1.
What is the InChIKey of 2-[(2R)-2,6-dimethylhept-5-enyl]-1,3-dioxolane?
The InChIKey is KCHXLUDCEMDEFL-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22O2/c1-10(2)5-4-6-11(3)9-12-13-7-8-14-12/h5,11-12H,4,6-9H2,1-3H3/t11-/m1/s1.
What are the key properties of 2-[(2R)-2,6-dimethylhept-5-enyl]-1,3-dioxolane?
2-[(2R)-2,6-dimethylhept-5-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-[(2R)-2,6-dimethylhept-5-enyl]-1,3-dioxolane is sourced from PubChem (CID 11095602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).