2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol

C16H32O4 — CID 58426131

IUPAC2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol
SMILESCCCCCCCCC(CO)OCC1COC(C)(C)O1
InChIInChI=1S/C16H32O4/c1-4-5-6-7-8-9-10-14(11-17)18-12-15-13-19-16(2,3)20-15/h14-15,17H,4-13H2,1-3H3
InChIKeyOJUDLWUQBCDMNA-UHFFFAOYSA-N
MW288.43 g/mol
LogP3.27
Rot. Bonds11

About 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol

2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol (PubChem CID 58426131) has the molecular formula C16H32O4 and a molecular weight of 288.43 g/mol. Its IUPAC name is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol.

Molecular Properties

Compound Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol
PubChem CID58426131
Molecular FormulaC16H32O4
Molecular Weight288.43 g/mol
Exact Mass288.23
IUPAC Name2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol
SMILESCCCCCCCCC(CO)OCC1COC(C)(C)O1
InChIInChI=1S/C16H32O4/c1-4-5-6-7-8-9-10-14(11-17)18-12-15-13-19-16(2,3)20-15/h14-15,17H,4-13H2,1-3H3
InChIKeyOJUDLWUQBCDMNA-UHFFFAOYSA-N
XLogP3.27
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.43
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

Heptanal 1,2-glyceryl acetal
CID 15571
Octyl Alpha-D-Arabinofuranoside
CID 49795070
2-Methyl-2-pentyl-1,3-dioxolane-4-methanol
CID 20370
1,3-Dioxolane-4-methanol, 2-heptyl-2-methyl-
CID 21867
(2-Hexyl-2-methyl-1,3-dioxolan-4-yl)methanol
CID 21868
(2-Butyl-2-ethyl-1,3-dioxolan-4-yl)methanol
CID 21897
(2,2-Dibutyl-1,3-dioxolan-4-yl)methanol
CID 21901
(2-Ethyl-2-pentyl-1,3-dioxolan-4-yl)methanol
CID 21980
D-Araf(a1-5)2-deoxy-D-eryPenf(a)-O-octyl
CID 44589475
D-Araf(a1-5)3-deoxy-D-thrPenf(a)-O-octyl
CID 44589476
1-O-(2R-methoxy-hexadecyl)-sn-glycerol
CID 14582682
1-O-(2-methoxy-hexadecyl)-sn-glycerol
CID 137323840

Frequently Asked Questions

What is the IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol?
The IUPAC name of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol (CID 58426131) is 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol.
What is the SMILES notation for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol?
The canonical SMILES for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol is CCCCCCCCC(CO)OCC1COC(C)(C)O1.
What is the InChIKey of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol?
The InChIKey is OJUDLWUQBCDMNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H32O4/c1-4-5-6-7-8-9-10-14(11-17)18-12-15-13-19-16(2,3)20-15/h14-15,17H,4-13H2,1-3H3.
What are the key properties of 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol?
2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol has a molecular weight of 288.43 g/mol, XLogP of 3.27, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]decan-1-ol is sourced from PubChem (CID 58426131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).