4-hexyl-2,2-dimethyl-1,3-dioxolane

C11H22O2 — CID 11275466

IUPAC4-hexyl-2,2-dimethyl-1,3-dioxolane
SMILESCCCCCCC1COC(C)(C)O1
InChIInChI=1S/C11H22O2/c1-4-5-6-7-8-10-9-12-11(2,3)13-10/h10H,4-9H2,1-3H3
InChIKeyMUILHUKUEHILTA-UHFFFAOYSA-N
MW186.29 g/mol
LogP3.11
Rot. Bonds5

About 4-hexyl-2,2-dimethyl-1,3-dioxolane

4-hexyl-2,2-dimethyl-1,3-dioxolane (PubChem CID 11275466) has the molecular formula C11H22O2 and a molecular weight of 186.29 g/mol. Its IUPAC name is 4-hexyl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-hexyl-2,2-dimethyl-1,3-dioxolane
PubChem CID11275466
Molecular FormulaC11H22O2
Molecular Weight186.29 g/mol
Exact Mass186.16
IUPAC Name4-hexyl-2,2-dimethyl-1,3-dioxolane
SMILESCCCCCCC1COC(C)(C)O1
InChIInChI=1S/C11H22O2/c1-4-5-6-7-8-10-9-12-11(2,3)13-10/h10H,4-9H2,1-3H3
InChIKeyMUILHUKUEHILTA-UHFFFAOYSA-N
XLogP3.11
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.29
LogP ≤ 53.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4-decyl-2,2-dimethyl-1,3-dioxolane
CID 71411741
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
(4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane
CID 15540488
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
CID 19391800
4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane
CID 13151642
(4S,6R)-2,2-dimethyl-4-nonadecyl-6-pentyl-1,3-dioxane
CID 15882396
(2,2-dimethyl-1,3-dioxolan-4-yl)methyl-trihexylphosphanium
CID 177451904
2,2-dimethyl-4-oct-7-enyl-1,3-dioxolane
CID 66757263
4-(2,2-dimethyl-1,3-dioxolan-4-yl)-N-ethylbutan-1-amine
CID 53230731
(4R)-4-hex-5-enyl-2,2-dimethyl-1,3-dioxolane
CID 124562439
(4S)-2,2-dimethyl-4-(octylsulfanyloxymethyl)-1,3-dioxolane
CID 166695399
4-butyl-2,2-dipropyl-1,3-dioxolane
CID 54392878

Frequently Asked Questions

What is the IUPAC name of 4-hexyl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-hexyl-2,2-dimethyl-1,3-dioxolane (CID 11275466) is 4-hexyl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-hexyl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-hexyl-2,2-dimethyl-1,3-dioxolane is CCCCCCC1COC(C)(C)O1.
What is the InChIKey of 4-hexyl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is MUILHUKUEHILTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O2/c1-4-5-6-7-8-10-9-12-11(2,3)13-10/h10H,4-9H2,1-3H3.
What are the key properties of 4-hexyl-2,2-dimethyl-1,3-dioxolane?
4-hexyl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 186.29 g/mol, XLogP of 3.11, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hexyl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 11275466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).