(4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane

C12H22O2 — CID 42631026

IUPAC(4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CCCCCC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C12H22O2/c1-4-5-6-7-8-9-11-10-13-12(2,3)14-11/h4,11H,1,5-10H2,2-3H3/t11-/m1/s1
InChIKeyFOCPFBLGXLZXPH-LLVKDONJSA-N
MW198.31 g/mol
LogP3.27
Rot. Bonds6

About (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane

(4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane (PubChem CID 42631026) has the molecular formula C12H22O2 and a molecular weight of 198.31 g/mol. Its IUPAC name is (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane
PubChem CID42631026
Molecular FormulaC12H22O2
Molecular Weight198.31 g/mol
Exact Mass198.16
IUPAC Name(4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CCCCCC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C12H22O2/c1-4-5-6-7-8-9-11-10-13-12(2,3)14-11/h4,11H,1,5-10H2,2-3H3/t11-/m1/s1
InChIKeyFOCPFBLGXLZXPH-LLVKDONJSA-N
XLogP3.27
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.31
LogP ≤ 53.27
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'}

Analyze (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane (CID 42631026) is (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane is C=CCCCCC[C@@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is FOCPFBLGXLZXPH-LLVKDONJSA-N. The full InChI is InChI=1S/C12H22O2/c1-4-5-6-7-8-9-11-10-13-12(2,3)14-11/h4,11H,1,5-10H2,2-3H3/t11-/m1/s1.
What are the key properties of (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane?
(4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 198.31 g/mol, XLogP of 3.27, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hept-6-enyl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 42631026), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).