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

C24H48O4 — CID 58426136

IUPAC1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]octadecan-2-ol
SMILESCCCCCCCCCCCCCCCCC(O)COCC1COC(C)(C)O1
InChIInChI=1S/C24H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-26-20-23-21-27-24(2,3)28-23/h22-23,25H,4-21H2,1-3H3
InChIKeyZHKADPHELLIKLY-UHFFFAOYSA-N
MW400.64 g/mol
LogP6.39
Rot. Bonds19

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

1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]octadecan-2-ol (PubChem CID 58426136) has the molecular formula C24H48O4 and a molecular weight of 400.64 g/mol. Its IUPAC name is 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]octadecan-2-ol.

Molecular Properties

Compound Name1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]octadecan-2-ol
PubChem CID58426136
Molecular FormulaC24H48O4
Molecular Weight400.64 g/mol
Exact Mass400.36
IUPAC Name1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]octadecan-2-ol
SMILESCCCCCCCCCCCCCCCCC(O)COCC1COC(C)(C)O1
InChIInChI=1S/C24H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-26-20-23-21-27-24(2,3)28-23/h22-23,25H,4-21H2,1-3H3
InChIKeyZHKADPHELLIKLY-UHFFFAOYSA-N
XLogP6.39
TPSA47.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds19
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.64
LogP ≤ 56.39
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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Frequently Asked Questions

What is the IUPAC name of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]octadecan-2-ol?
The IUPAC name of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]octadecan-2-ol (CID 58426136) is 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]octadecan-2-ol.
What is the SMILES notation for 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]octadecan-2-ol?
The canonical SMILES for 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]octadecan-2-ol is CCCCCCCCCCCCCCCCC(O)COCC1COC(C)(C)O1.
What is the InChIKey of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]octadecan-2-ol?
The InChIKey is ZHKADPHELLIKLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H48O4/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-22(25)19-26-20-23-21-27-24(2,3)28-23/h22-23,25H,4-21H2,1-3H3.
What are the key properties of 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]octadecan-2-ol?
1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]octadecan-2-ol has a molecular weight of 400.64 g/mol, XLogP of 6.39, 19 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2,2-dimethyl-1,3-dioxolan-4-yl)methoxy]octadecan-2-ol is sourced from PubChem (CID 58426136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).