(4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane

C24H46O3 — CID 56653504

IUPAC(4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane
SMILESC=CCCCCC[C@@H](C)CCCCCCCCCOC[C@H]1COC(C)(C)O1
InChIInChI=1S/C24H46O3/c1-5-6-7-11-14-17-22(2)18-15-12-9-8-10-13-16-19-25-20-23-21-26-24(3,4)27-23/h5,22-23H,1,6-21H2,2-4H3/t22-,23+/m1/s1
InChIKeyDODYFUBTLBHRIX-PKTZIBPZSA-N
MW382.63 g/mol
LogP7.05
Rot. Bonds18

About (4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane

(4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane (PubChem CID 56653504) has the molecular formula C24H46O3 and a molecular weight of 382.63 g/mol. Its IUPAC name is (4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane.

Molecular Properties

Compound Name(4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane
PubChem CID56653504
Molecular FormulaC24H46O3
Molecular Weight382.63 g/mol
Exact Mass382.34
IUPAC Name(4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane
SMILESC=CCCCCC[C@@H](C)CCCCCCCCCOC[C@H]1COC(C)(C)O1
InChIInChI=1S/C24H46O3/c1-5-6-7-11-14-17-22(2)18-15-12-9-8-10-13-16-19-25-20-23-21-26-24(3,4)27-23/h5,22-23H,1,6-21H2,2-4H3/t22-,23+/m1/s1
InChIKeyDODYFUBTLBHRIX-PKTZIBPZSA-N
XLogP7.05
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds18
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.63
LogP ≤ 57.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze (4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane?
The IUPAC name of (4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane (CID 56653504) is (4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane.
What is the SMILES notation for (4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane?
The canonical SMILES for (4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane is C=CCCCCC[C@@H](C)CCCCCCCCCOC[C@H]1COC(C)(C)O1.
What is the InChIKey of (4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane?
The InChIKey is DODYFUBTLBHRIX-PKTZIBPZSA-N. The full InChI is InChI=1S/C24H46O3/c1-5-6-7-11-14-17-22(2)18-15-12-9-8-10-13-16-19-25-20-23-21-26-24(3,4)27-23/h5,22-23H,1,6-21H2,2-4H3/t22-,23+/m1/s1.
What are the key properties of (4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane?
(4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane has a molecular weight of 382.63 g/mol, XLogP of 7.05, 18 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2,2-dimethyl-4-[[(10S)-10-methylheptadec-16-enoxy]methyl]-1,3-dioxolane is sourced from PubChem (CID 56653504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).