2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate

C15H28O6 — CID 87550777

IUPAC2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate
SMILESC=C(C(=O)OCCOCCOCCOCCO)C(C)(C)C
InChIInChI=1S/C15H28O6/c1-13(15(2,3)4)14(17)21-12-11-20-10-9-19-8-7-18-6-5-16/h16H,1,5-12H2,2-4H3
InChIKeyKBEGVNISUBJKTM-UHFFFAOYSA-N
MW304.38 g/mol
LogP1.17
Rot. Bonds12

About 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate

2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate (PubChem CID 87550777) has the molecular formula C15H28O6 and a molecular weight of 304.38 g/mol. Its IUPAC name is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate.

Molecular Properties

Compound Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate
PubChem CID87550777
Molecular FormulaC15H28O6
Molecular Weight304.38 g/mol
Exact Mass304.19
IUPAC Name2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate
SMILESC=C(C(=O)OCCOCCOCCOCCO)C(C)(C)C
InChIInChI=1S/C15H28O6/c1-13(15(2,3)4)14(17)21-12-11-20-10-9-19-8-7-18-6-5-16/h16H,1,5-12H2,2-4H3
InChIKeyKBEGVNISUBJKTM-UHFFFAOYSA-N
XLogP1.17
TPSA74.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.38
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate 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

2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methylprop-2-enoate
CID 19001742
3-(3,3-dimethyl-2-methylidenebutanoyl)oxypropyl 3,3-dimethyl-2-methylidenebutanoate
CID 175270584
bis[2-[2-(2-hydroxyethoxy)ethoxy]ethyl] oxalate
CID 174537242
2-[2-(2-hydroxyethoxy)ethoxy]ethyl 2-methylidenebutanoate
CID 88500447
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 2,2-dimethylpropanoate
CID 154107632
2-[2-[2-[2-[2-[2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethoxy]ethyl 2-methoxyprop-2-enoate
CID 175188156
2-hydroxyethyl 2-[2-(2-hydroxyethoxy)ethoxy]prop-2-enoate
CID 174488486
1-O-[2-(2-hydroxyethoxy)ethyl] 2-O-[2-(2-methoxyethoxy)ethyl] oxalate
CID 89311377
2-(2-hydroxyethoxy)ethyl 2-carbamoylprop-2-enoate
CID 118963165
3-silylpropyl 3,3-dimethyl-2-methylidenebutanoate
CID 123824812
2-(2-hydroxyethoxy)ethyl 2-methyl-3,3-bis(sulfanyl)prop-2-enoate
CID 87240269
2-[2-(2-hydroxyethoxy)ethoxy]ethanol;2-hydroxyethyl 2-methylprop-2-enoate;bis(2-methylprop-2-enoic acid)
CID 173303498

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate?
The IUPAC name of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate (CID 87550777) is 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate.
What is the SMILES notation for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate?
The canonical SMILES for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate is C=C(C(=O)OCCOCCOCCOCCO)C(C)(C)C.
What is the InChIKey of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate?
The InChIKey is KBEGVNISUBJKTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O6/c1-13(15(2,3)4)14(17)21-12-11-20-10-9-19-8-7-18-6-5-16/h16H,1,5-12H2,2-4H3.
What are the key properties of 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate?
2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate has a molecular weight of 304.38 g/mol, XLogP of 1.17, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2-hydroxyethoxy)ethoxy]ethoxy]ethyl 3,3-dimethyl-2-methylidenebutanoate is sourced from PubChem (CID 87550777), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).