2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride

C13H25ClO2 — CID 87163132

IUPAC2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride
SMILESCCOCC(C(=O)Cl)(C(C)C)C(C)(C)CC
InChIInChI=1S/C13H25ClO2/c1-7-12(5,6)13(10(3)4,11(14)15)9-16-8-2/h10H,7-9H2,1-6H3
InChIKeyMSKOZVSTSFKSBX-UHFFFAOYSA-N
MW248.79 g/mol
LogP3.87
Rot. Bonds7

About 2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride

2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride (PubChem CID 87163132) has the molecular formula C13H25ClO2 and a molecular weight of 248.79 g/mol. Its IUPAC name is 2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride.

Molecular Properties

Compound Name2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride
PubChem CID87163132
Molecular FormulaC13H25ClO2
Molecular Weight248.79 g/mol
Exact Mass248.15
IUPAC Name2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride
SMILESCCOCC(C(=O)Cl)(C(C)C)C(C)(C)CC
InChIInChI=1S/C13H25ClO2/c1-7-12(5,6)13(10(3)4,11(14)15)9-16-8-2/h10H,7-9H2,1-6H3
InChIKeyMSKOZVSTSFKSBX-UHFFFAOYSA-N
XLogP3.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.79
LogP ≤ 53.87
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-2,2-dimethylpropanoyl chloride
CID 14459646
2-tert-butyl-3-methoxy-2-propan-2-ylheptanoyl chloride;3-chloro-2-cyclopentyl-5-(ethoxymethyl)-3-methoxy-6,6-dimethyl-4-oxo-2,5-di(propan-2-yl)octanoyl chloride;2-cyclopentyl-2-(ethoxymethyl)-3-methylbutanoyl chloride;2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylbutanoyl chloride;2-(methoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride
CID 174626850
propan-2-yl 2-(ethoxymethyl)-3-methyl-2-propan-2-ylbutanoate
CID 139783243
[(2S)-1-ethoxypropan-2-yl] carbonochloridate
CID 124681021
2,2-dimethoxypropane;dimethyl carbonate;ethoxyethane
CID 160972602
2-methylbutan-2-yl 2-chloropropanoate
CID 523714
2-methylbutan-2-yl carbonochloridate
CID 15051328
(1-ethoxy-2-methylpropan-2-yl) 2-methylprop-2-enoate
CID 20643876
2-ethoxy-2-ethyl-3-methylbutanoic acid
CID 116768994
2-ethyl-2-(3-methylbutyl)propanedioyl dichloride
CID 22147568
3-methylpentan-3-yl 2-methylpropanoate
CID 59491986
tert-butyl 2,3,3-trimethyl-2-(2-methylpropyl)pentanoate
CID 88590008

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride?
The IUPAC name of 2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride (CID 87163132) is 2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride.
What is the SMILES notation for 2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride?
The canonical SMILES for 2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride is CCOCC(C(=O)Cl)(C(C)C)C(C)(C)CC.
What is the InChIKey of 2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride?
The InChIKey is MSKOZVSTSFKSBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H25ClO2/c1-7-12(5,6)13(10(3)4,11(14)15)9-16-8-2/h10H,7-9H2,1-6H3.
What are the key properties of 2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride?
2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride has a molecular weight of 248.79 g/mol, XLogP of 3.87, 7 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-3,3-dimethyl-2-propan-2-ylpentanoyl chloride is sourced from PubChem (CID 87163132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).