2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate

C24H46O7 — CID 141228778

IUPAC2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate
SMILESCC(C)CCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCC(C)C
InChIInChI=1S/C24H46O7/c1-21(2)9-5-7-11-23(25)30-19-17-28-15-13-27-14-16-29-18-20-31-24(26)12-8-6-10-22(3)4/h21-22H,5-20H2,1-4H3
InChIKeyRPGCQRYGRLCEAH-UHFFFAOYSA-N
MW446.63 g/mol
LogP4.56
Rot. Bonds22

About 2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate

2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate (PubChem CID 141228778) has the molecular formula C24H46O7 and a molecular weight of 446.63 g/mol. Its IUPAC name is 2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate.

Molecular Properties

Compound Name2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate
PubChem CID141228778
Molecular FormulaC24H46O7
Molecular Weight446.63 g/mol
Exact Mass446.32
IUPAC Name2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate
SMILESCC(C)CCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCC(C)C
InChIInChI=1S/C24H46O7/c1-21(2)9-5-7-11-23(25)30-19-17-28-15-13-27-14-16-29-18-20-31-24(26)12-8-6-10-22(3)4/h21-22H,5-20H2,1-4H3
InChIKeyRPGCQRYGRLCEAH-UHFFFAOYSA-N
XLogP4.56
TPSA80.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds22
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.63
LogP ≤ 54.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethyl 6-methylheptanoate
CID 141056021
2-acetyloxyethyl 6-methylheptanoate
CID 175452078
10-methylundecyl 9-methyldecanoate
CID 139914472
14-methylpentadecyl 9-methyldecanoate
CID 139914480
bis(10-methylundecyl) octanedioate
CID 121388088
14-methylpentadecyl 12-methyltridecanoate
CID 54008105
bis(6-methylheptyl) undecanedioate
CID 141305471
bis(13-methyltetradecyl) nonanedioate
CID 121387990
bis(14-methylpentadecyl) nonanedioate
CID 23368809
14-methylpentadecyl 13-methyltetradecanoate
CID 139914439
bis(7-methyloctyl) decanedioate
CID 14029531
11-methyldodecyl 7-methyloctanoate;8-methylnonyl 7-methyloctanoate
CID 175956194

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate?
The IUPAC name of 2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate (CID 141228778) is 2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate.
What is the SMILES notation for 2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate?
The canonical SMILES for 2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate is CC(C)CCCCC(=O)OCCOCCOCCOCCOC(=O)CCCCC(C)C.
What is the InChIKey of 2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate?
The InChIKey is RPGCQRYGRLCEAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H46O7/c1-21(2)9-5-7-11-23(25)30-19-17-28-15-13-27-14-16-29-18-20-31-24(26)12-8-6-10-22(3)4/h21-22H,5-20H2,1-4H3.
What are the key properties of 2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate?
2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate has a molecular weight of 446.63 g/mol, XLogP of 4.56, 22 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[2-(6-methylheptanoyloxy)ethoxy]ethoxy]ethoxy]ethyl 6-methylheptanoate is sourced from PubChem (CID 141228778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).