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

C15H30O2 — CID 71411741

IUPAC4-decyl-2,2-dimethyl-1,3-dioxolane
SMILESCCCCCCCCCCC1COC(C)(C)O1
InChIInChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-14-13-16-15(2,3)17-14/h14H,4-13H2,1-3H3
InChIKeyIMWNVVKWVNKMSW-UHFFFAOYSA-N
MW242.40 g/mol
LogP4.67
Rot. Bonds9

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

4-decyl-2,2-dimethyl-1,3-dioxolane (PubChem CID 71411741) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is 4-decyl-2,2-dimethyl-1,3-dioxolane.

Molecular Properties

Compound Name4-decyl-2,2-dimethyl-1,3-dioxolane
PubChem CID71411741
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name4-decyl-2,2-dimethyl-1,3-dioxolane
SMILESCCCCCCCCCCC1COC(C)(C)O1
InChIInChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-14-13-16-15(2,3)17-14/h14H,4-13H2,1-3H3
InChIKeyIMWNVVKWVNKMSW-UHFFFAOYSA-N
XLogP4.67
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 54.67
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-hexyl-2,2-dimethyl-1,3-dioxolane
CID 11275466
(4R)-2,2-dimethyl-4-propyl-1,3-dioxolane
CID 59344944
(4R)-4-(8-bromooctyl)-2,2-dimethyl-1,3-dioxolane
CID 15540488
4-(5-bromopentyl)-2,2-dimethyl-1,3-dioxolane
CID 13151642
6-(2,2-dimethyl-1,3-dioxolan-4-yl)hexan-1-ol
CID 19391800
(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-decyl-2,2-dimethyl-1,3-dioxolane?
The IUPAC name of 4-decyl-2,2-dimethyl-1,3-dioxolane (CID 71411741) is 4-decyl-2,2-dimethyl-1,3-dioxolane.
What is the SMILES notation for 4-decyl-2,2-dimethyl-1,3-dioxolane?
The canonical SMILES for 4-decyl-2,2-dimethyl-1,3-dioxolane is CCCCCCCCCCC1COC(C)(C)O1.
What is the InChIKey of 4-decyl-2,2-dimethyl-1,3-dioxolane?
The InChIKey is IMWNVVKWVNKMSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H30O2/c1-4-5-6-7-8-9-10-11-12-14-13-16-15(2,3)17-14/h14H,4-13H2,1-3H3.
What are the key properties of 4-decyl-2,2-dimethyl-1,3-dioxolane?
4-decyl-2,2-dimethyl-1,3-dioxolane has a molecular weight of 242.40 g/mol, XLogP of 4.67, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-decyl-2,2-dimethyl-1,3-dioxolane is sourced from PubChem (CID 71411741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).