(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane

C11H20O2 — CID 124562439

IUPAC(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CCCCC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-10-9-12-11(2,3)13-10/h4,10H,1,5-9H2,2-3H3/t10-/m1/s1
InChIKeyHVQDBEDUGJLECU-SNVBAGLBSA-N
MW184.28 g/mol
LogP2.88
Rot. Bonds5

About (4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane

(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane (PubChem CID 124562439) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
PubChem CID124562439
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
SMILESC=CCCCC[C@@H]1COC(C)(C)O1
InChIInChI=1S/C11H20O2/c1-4-5-6-7-8-10-9-12-11(2,3)13-10/h4,10H,1,5-9H2,2-3H3/t10-/m1/s1
InChIKeyHVQDBEDUGJLECU-SNVBAGLBSA-N
XLogP2.88
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.88
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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Related Compounds

2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
CID 66757263
4-[(4E)-hepta-4,6-dienyl]-2,2-dimethyl-1,3-dioxolane
CID 16753291
4-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
(4S)-2,2-dimethyl-4-[(1Z)-octa-1,7-dienyl]-1,3-dioxolane
CID 10536443
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
CID 19391800
(4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane
CID 15540488
4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane
CID 13151642
2-non-8-enyloxirane
CID 86075301
2-oct-7-enyloxirane
CID 160591597
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine
CID 53230731
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944

Frequently Asked Questions

What is the IUPAC name of (4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of (4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane (CID 124562439) is (4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for (4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for (4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane is C=CCCCC[C@@H]1COC(C)(C)O1.
What is the InChIKey of (4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is HVQDBEDUGJLECU-SNVBAGLBSA-N. The full InChI is InChI=1S/C11H20O2/c1-4-5-6-7-8-10-9-12-11(2,3)13-10/h4,10H,1,5-9H2,2-3H3/t10-/m1/s1.
What are the key properties of (4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane?
(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 184.28 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 124562439), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).