10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate

C18H32O5 — CID 91695806

IUPAC10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate
SMILESCCCOC(=O)CCCCCCCCC(=O)OCC1CCCO1
InChIInChI=1S/C18H32O5/c1-2-13-22-17(19)11-7-5-3-4-6-8-12-18(20)23-15-16-10-9-14-21-16/h16H,2-15H2,1H3
InChIKeyNWUGERRMNQBYOE-UHFFFAOYSA-N
MW328.45 g/mol
LogP3.78
Rot. Bonds13

About 10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate

10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate (PubChem CID 91695806) has the molecular formula C18H32O5 and a molecular weight of 328.45 g/mol. Its IUPAC name is 10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate.

Molecular Properties

Compound Name10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate
PubChem CID91695806
Molecular FormulaC18H32O5
Molecular Weight328.45 g/mol
Exact Mass328.22
IUPAC Name10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate
SMILESCCCOC(=O)CCCCCCCCC(=O)OCC1CCCO1
InChIInChI=1S/C18H32O5/c1-2-13-22-17(19)11-7-5-3-4-6-8-12-18(20)23-15-16-10-9-14-21-16/h16H,2-15H2,1H3
InChIKeyNWUGERRMNQBYOE-UHFFFAOYSA-N
XLogP3.78
TPSA61.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds13
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.45
LogP ≤ 53.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze 10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate with MolForge

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

Launch Full Analysis

Related Compounds

Isopropyl Myristate
CID 8042
Tricaprylin
CID 10850
Isopropyl Palmitate
CID 8907
Tricaprin
CID 69310
Sorbitan monooctadecanoate
CID 16218600
Tripalmitin
CID 11147
Trilaurin
CID 10851
Tristearin
CID 11146
Triheptanoin
CID 69286
Glyceryl Tribehenate
CID 62726
Glycol Distearate
CID 61174
Trimyristin
CID 11148

Frequently Asked Questions

What is the IUPAC name of 10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate?
The IUPAC name of 10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate (CID 91695806) is 10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate.
What is the SMILES notation for 10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate?
The canonical SMILES for 10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate is CCCOC(=O)CCCCCCCCC(=O)OCC1CCCO1.
What is the InChIKey of 10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate?
The InChIKey is NWUGERRMNQBYOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H32O5/c1-2-13-22-17(19)11-7-5-3-4-6-8-12-18(20)23-15-16-10-9-14-21-16/h16H,2-15H2,1H3.
What are the key properties of 10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate?
10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate has a molecular weight of 328.45 g/mol, XLogP of 3.78, 13 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 10-O-(oxolan-2-ylmethyl) 1-O-propyl decanedioate is sourced from PubChem (CID 91695806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).