3-ethoxy-4,4-dimethyl-2-(2-methylbutan-2-yl)pentanoyl chloride

C14H27ClO2 — CID 87162930

IUPAC3-ethoxy-4,4-dimethyl-2-(2-methylbutan-2-yl)pentanoyl chloride
SMILESCCOC(C(C(=O)Cl)C(C)(C)CC)C(C)(C)C
InChIInChI=1S/C14H27ClO2/c1-8-14(6,7)10(12(15)16)11(17-9-2)13(3,4)5/h10-11H,8-9H2,1-7H3
InChIKeyYNTUAQRJFZEGFD-UHFFFAOYSA-N
MW262.82 g/mol
LogP4.26
Rot. Bonds6

About 3-ethoxy-4,4-dimethyl-2-(2-methylbutan-2-yl)pentanoyl chloride

3-ethoxy-4,4-dimethyl-2-(2-methylbutan-2-yl)pentanoyl chloride (PubChem CID 87162930) has the molecular formula C14H27ClO2 and a molecular weight of 262.82 g/mol. Its IUPAC name is 3-ethoxy-4,4-dimethyl-2-(2-methylbutan-2-yl)pentanoyl chloride.

Molecular Properties

Compound Name3-ethoxy-4,4-dimethyl-2-(2-methylbutan-2-yl)pentanoyl chloride
PubChem CID87162930
Molecular FormulaC14H27ClO2
Molecular Weight262.82 g/mol
Exact Mass262.17
IUPAC Name3-ethoxy-4,4-dimethyl-2-(2-methylbutan-2-yl)pentanoyl chloride
SMILESCCOC(C(C(=O)Cl)C(C)(C)CC)C(C)(C)C
InChIInChI=1S/C14H27ClO2/c1-8-14(6,7)10(12(15)16)11(17-9-2)13(3,4)5/h10-11H,8-9H2,1-7H3
InChIKeyYNTUAQRJFZEGFD-UHFFFAOYSA-N
XLogP4.26
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.82
LogP ≤ 54.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

3-ethoxy-4,4-dimethylpentan-2-one
CID 83225226
(3S)-4-ethoxy-5,5-dimethylhexan-3-amine
CID 104932287
ethyl 3,5,5-trimethyl-2-(2-methylbutan-2-yl)hexanoate
CID 123269776
3-ethoxy-2,2-dimethyloctan-4-ol
CID 116713329
4-ethoxy-2,2-dimethylpentan-3-one
CID 64540696
3-ethoxy-4,4-dimethyl-1-(4-propan-2-ylphenyl)pentan-2-ol
CID 116713429
3-ethoxy-2,2,7-trimethyloctan-4-amine
CID 116725152
3-ethoxy-2,2-dimethyldecan-4-ol
CID 116713288
3-ethoxy-4,4-dimethyl-1-propoxypentan-2-ol
CID 116713479
3-ethoxy-2,2,5-trimethylheptan-4-amine
CID 116725356
3-ethoxy-5-ethyl-2,2-dimethylheptan-4-amine
CID 116725378
3,3-diethoxypropanoyl chloride
CID 86719470

Frequently Asked Questions

What is the IUPAC name of 3-ethoxy-4,4-dimethyl-2-(2-methylbutan-2-yl)pentanoyl chloride?
The IUPAC name of 3-ethoxy-4,4-dimethyl-2-(2-methylbutan-2-yl)pentanoyl chloride (CID 87162930) is 3-ethoxy-4,4-dimethyl-2-(2-methylbutan-2-yl)pentanoyl chloride.
What is the SMILES notation for 3-ethoxy-4,4-dimethyl-2-(2-methylbutan-2-yl)pentanoyl chloride?
The canonical SMILES for 3-ethoxy-4,4-dimethyl-2-(2-methylbutan-2-yl)pentanoyl chloride is CCOC(C(C(=O)Cl)C(C)(C)CC)C(C)(C)C.
What is the InChIKey of 3-ethoxy-4,4-dimethyl-2-(2-methylbutan-2-yl)pentanoyl chloride?
The InChIKey is YNTUAQRJFZEGFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H27ClO2/c1-8-14(6,7)10(12(15)16)11(17-9-2)13(3,4)5/h10-11H,8-9H2,1-7H3.
What are the key properties of 3-ethoxy-4,4-dimethyl-2-(2-methylbutan-2-yl)pentanoyl chloride?
3-ethoxy-4,4-dimethyl-2-(2-methylbutan-2-yl)pentanoyl chloride has a molecular weight of 262.82 g/mol, XLogP of 4.26, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-ethoxy-4,4-dimethyl-2-(2-methylbutan-2-yl)pentanoyl chloride is sourced from PubChem (CID 87162930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).