CID 59853365

C11H20NO4 — CID 59853365

IUPAC—
SMILESCCC(C)(C)C(=O)OCCOC(=O)CC[NH]
InChIInChI=1S/C11H20NO4/c1-4-11(2,3)10(14)16-8-7-15-9(13)5-6-12/h12H,4-8H2,1-3H3
InChIKeyLCGWWMIHPRRCMC-UHFFFAOYSA-N
MW230.28 g/mol
LogP1.18
Rot. Bonds7

About CID 59853365

CID 59853365 (PubChem CID 59853365) has the molecular formula C11H20NO4 and a molecular weight of 230.28 g/mol.

Molecular Properties

Compound NameCID 59853365
PubChem CID59853365
Molecular FormulaC11H20NO4
Molecular Weight230.28 g/mol
Exact Mass230.14
IUPAC Name—
SMILESCCC(C)(C)C(=O)OCCOC(=O)CC[NH]
InChIInChI=1S/C11H20NO4/c1-4-11(2,3)10(14)16-8-7-15-9(13)5-6-12/h12H,4-8H2,1-3H3
InChIKeyLCGWWMIHPRRCMC-UHFFFAOYSA-N
XLogP1.18
TPSA76.40 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.28
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(5-aminopentanoyloxy)ethyl 2,2-dimethylbutanoate
CID 89221864
4-[4-(2,2-dimethylbutanoyloxy)butoxy]-4-oxobutanoic acid
CID 58715917
[6-[2-(2,2-dimethylbutanoyloxy)ethoxy]-6-oxohexyl] 6-hydroxyhexanoate
CID 165092850
13-(2,2-dimethylbutanoyloxy)tridecyl 2,2-dimethylbutanoate
CID 160888963
3,3-dimethylbutyl 2,2-dimethylbutanoate
CID 59126222
4-oxopentyl 2,2-dimethylbutanoate
CID 167427927
2-(2,2,3,3,3-pentafluoropropanoyloxy)ethyl 2,2-dimethylbutanoate
CID 87414406
[4-(6-methylsulfanylhexoxy)-4-oxobutyl] 2,2-dimethylbutanoate
CID 161217773
2-(3-oxobutoxymethoxy)ethyl 2,2-dimethylbutanoate
CID 59991240
4-O-[2-(2,2-dimethylbutanoyloxy)ethyl] 1-O-(3,3,3-trifluoropropyl) butanedioate;4-O-[2-(2-methylbutanoyloxy)ethyl] 1-O-(3,3,3-trifluoropropyl) butanedioate
CID 123520350
pentyl 2,2-dimethylbutanoate
CID 59940538
3-aminopropyl 2,2-dimethylbutanoate
CID 88947753

Frequently Asked Questions

What is the IUPAC name of CID 59853365?
The IUPAC name of CID 59853365 (CID 59853365) is not available.
What is the SMILES notation for CID 59853365?
The canonical SMILES for CID 59853365 is CCC(C)(C)C(=O)OCCOC(=O)CC[NH].
What is the InChIKey of CID 59853365?
The InChIKey is LCGWWMIHPRRCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20NO4/c1-4-11(2,3)10(14)16-8-7-15-9(13)5-6-12/h12H,4-8H2,1-3H3.
What are the key properties of CID 59853365?
CID 59853365 has a molecular weight of 230.28 g/mol, XLogP of 1.18, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for CID 59853365 is sourced from PubChem (CID 59853365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).