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

C77H142Cl6O12 — CID 174626850

About 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

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 (PubChem CID 174626850) has the molecular formula C77H142Cl6O12 and a molecular weight of 1472.69 g/mol. Its IUPAC name is 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.

Molecular Properties

• Compound Name: 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
• PubChem CID: 174626850
• Molecular Formula: C77H142Cl6O12
• Molecular Weight: 1472.69 g/mol
• Exact Mass: 1468.86
• IUPAC Name: 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
• SMILES: CCC(C)(C)C(COC)(C(=O)Cl)C(C)C.CCCCC(OC)C(C(=O)Cl)(C(C)C)C(C)(C)C.CCOCC(C(=O)C(Cl)(OC)C(C(=O)Cl)(C(C)C)C1CCCC1)(C(C)C)C(C)(C)CC.CCOCC(C(=O)Cl)(C(C)C)C(C)(C)C.CCOCC(C(=O)Cl)(C(C)C)C1CCCC1
• InChI: InChI=1S/C25H44Cl2O4.C15H29ClO2.C13H23ClO2.2C12H23ClO2/c1-10-22(7,8)23(17(3)4,16-31-11-2)20(28)25(27,30-9)24(18(5)6,21(26)29)19-14-12-13-15-19;1-8-9-10-12(18-7)15(11(2)3,13(16)17)14(4,5)6;1-4-16-9-13(10(2)3,12(14)15)11-7-5-6-8-11;1-7-11(4,5)12(8-15-6,9(2)3)10(13)14;1-7-15-8-12(9(2)3,10(13)14)11(4,5)6/h17-19H,10-16H2,1-9H3;11-12H,8-10H2,1-7H3;10-11H,4-9H2,1-3H3;2*9H,7-8H2,1-6H3
• InChIKey: HSZCFOPVVWFVAZ-UHFFFAOYSA-N
• XLogP: 22.07
• TPSA: 157.80 Ų
• H-Bond Acceptors: 12
• Rotatable Bonds: 37
• Heavy Atoms: 95
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1472.69
LogP ≤ 5	22.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	12

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 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?

The IUPAC name of 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) is 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.

What is the SMILES notation for 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?

The canonical SMILES for 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 is CCC(C)(C)C(COC)(C(=O)Cl)C(C)C.CCCCC(OC)C(C(=O)Cl)(C(C)C)C(C)(C)C.CCOCC(C(=O)C(Cl)(OC)C(C(=O)Cl)(C(C)C)C1CCCC1)(C(C)C)C(C)(C)CC.CCOCC(C(=O)Cl)(C(C)C)C(C)(C)C.CCOCC(C(=O)Cl)(C(C)C)C1CCCC1.

What is the InChIKey of 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?

The InChIKey is HSZCFOPVVWFVAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H44Cl2O4.C15H29ClO2.C13H23ClO2.2C12H23ClO2/c1-10-22(7,8)23(17(3)4,16-31-11-2)20(28)25(27,30-9)24(18(5)6,21(26)29)19-14-12-13-15-19;1-8-9-10-12(18-7)15(11(2)3,13(16)17)14(4,5)6;1-4-16-9-13(10(2)3,12(14)15)11-7-5-6-8-11;1-7-11(4,5)12(8-15-6,9(2)3)10(13)14;1-7-15-8-12(9(2)3,10(13)14)11(4,5)6/h17-19H,10-16H2,1-9H3;11-12H,8-10H2,1-7H3;10-11H,4-9H2,1-3H3;2*9H,7-8H2,1-6H3.

What are the key properties of 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?

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 has a molecular weight of 1472.69 g/mol, XLogP of 22.07, 37 rotatable bonds, 0 hydrogen bond donors, and 12 hydrogen bond acceptors.

Where does this data come from?

All data for 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 is sourced from PubChem (CID 174626850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).