10-(dimethylamino)decyl methyl carbonate;ethane

C16H35NO3 — CID 177226338

IUPAC10-(dimethylamino)decyl methyl carbonate;ethane
SMILESCC.COC(=O)OCCCCCCCCCCN(C)C
InChIInChI=1S/C14H29NO3.C2H6/c1-15(2)12-10-8-6-4-5-7-9-11-13-18-14(16)17-3;1-2/h4-13H2,1-3H3;1-2H3
InChIKeyGAWNMXUNDRUFNN-UHFFFAOYSA-N
MW289.46 g/mol
LogP4.48
Rot. Bonds11

About 10-(dimethylamino)decyl methyl carbonate;ethane

10-(dimethylamino)decyl methyl carbonate;ethane (PubChem CID 177226338) has the molecular formula C16H35NO3 and a molecular weight of 289.46 g/mol. Its IUPAC name is 10-(dimethylamino)decyl methyl carbonate;ethane.

Molecular Properties

Compound Name10-(dimethylamino)decyl methyl carbonate;ethane
PubChem CID177226338
Molecular FormulaC16H35NO3
Molecular Weight289.46 g/mol
Exact Mass289.26
IUPAC Name10-(dimethylamino)decyl methyl carbonate;ethane
SMILESCC.COC(=O)OCCCCCCCCCCN(C)C
InChIInChI=1S/C14H29NO3.C2H6/c1-15(2)12-10-8-6-4-5-7-9-11-13-18-14(16)17-3;1-2/h4-13H2,1-3H3;1-2H3
InChIKeyGAWNMXUNDRUFNN-UHFFFAOYSA-N
XLogP4.48
TPSA38.77 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.46
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 10-(dimethylamino)decyl methyl carbonate;ethane 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

6-methoxycarbonyloxyhexyl methyl carbonate
CID 20656357
7-methoxycarbonyloxyheptyl methyl carbonate
CID 162779746
16-(dimethylamino)hexadecyl hydrogen carbonate
CID 177225064
16-(dimethylamino)hexadecyl hydrogen carbonate;methanol
CID 177226499
bis[6-(dimethylamino)hexyl] (Z)-but-2-enedioate
CID 87123530
azane;methyl tetradecyl carbonate
CID 118914581
5-chloropentyl methyl carbonate
CID 103970733
2-(dimethylamino)ethyl hexadecyl carbonate
CID 71418420
3-[4-(dimethylamino)butoxy]-3-oxopropanoic acid
CID 87400379
bis[6-(diethylamino)hexyl] carbonate
CID 54452513
2-(dimethylamino)ethyl hexadecyl carbonate;hydrochloride
CID 71418419
3-O-[3-(dimethylamino)propyl] 1-O-methyl propanedioate
CID 168950303

Frequently Asked Questions

What is the IUPAC name of 10-(dimethylamino)decyl methyl carbonate;ethane?
The IUPAC name of 10-(dimethylamino)decyl methyl carbonate;ethane (CID 177226338) is 10-(dimethylamino)decyl methyl carbonate;ethane.
What is the SMILES notation for 10-(dimethylamino)decyl methyl carbonate;ethane?
The canonical SMILES for 10-(dimethylamino)decyl methyl carbonate;ethane is CC.COC(=O)OCCCCCCCCCCN(C)C.
What is the InChIKey of 10-(dimethylamino)decyl methyl carbonate;ethane?
The InChIKey is GAWNMXUNDRUFNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29NO3.C2H6/c1-15(2)12-10-8-6-4-5-7-9-11-13-18-14(16)17-3;1-2/h4-13H2,1-3H3;1-2H3.
What are the key properties of 10-(dimethylamino)decyl methyl carbonate;ethane?
10-(dimethylamino)decyl methyl carbonate;ethane has a molecular weight of 289.46 g/mol, XLogP of 4.48, 11 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 10-(dimethylamino)decyl methyl carbonate;ethane is sourced from PubChem (CID 177226338), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).