methyl 2,2-dimethyl-5-propan-2-yloxypentanoate

C11H22O3 — CID 59323556

IUPACmethyl 2,2-dimethyl-5-propan-2-yloxypentanoate
SMILESCOC(=O)C(C)(C)CCCOC(C)C
InChIInChI=1S/C11H22O3/c1-9(2)14-8-6-7-11(3,4)10(12)13-5/h9H,6-8H2,1-5H3
InChIKeyPZNQTENJYJCNSI-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.39
Rot. Bonds6

About methyl 2,2-dimethyl-5-propan-2-yloxypentanoate

methyl 2,2-dimethyl-5-propan-2-yloxypentanoate (PubChem CID 59323556) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is methyl 2,2-dimethyl-5-propan-2-yloxypentanoate.

Molecular Properties

Compound Namemethyl 2,2-dimethyl-5-propan-2-yloxypentanoate
PubChem CID59323556
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Namemethyl 2,2-dimethyl-5-propan-2-yloxypentanoate
SMILESCOC(=O)C(C)(C)CCCOC(C)C
InChIInChI=1S/C11H22O3/c1-9(2)14-8-6-7-11(3,4)10(12)13-5/h9H,6-8H2,1-5H3
InChIKeyPZNQTENJYJCNSI-UHFFFAOYSA-N
XLogP2.39
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

methyl 5-methoxy-2,2-dimethylpentanoate
CID 89066099
dimethyl 7-hydroxy-2,2,12,12-tetramethyltridecanedioate
CID 59660139
(2-methyl-6-propan-2-yloxyhexan-2-yl) 2,2-dimethylpropanoate
CID 166750043
2,2-dimethyl-5-propan-2-yloxypentanimidamide
CID 65258548
dimethyl 2,2-dimethylhexanedioate
CID 28400
azanium methyl 2,2-dimethyloctadecanoate
CID 22238515
methyl 4-[[(2R)-1-methoxy-1-oxopropan-2-yl]amino]-2,2-dimethylbutanoate
CID 54046049
4-methyl-4-[(2-methylpropan-2-yl)oxy]-1-propan-2-yloxypentane
CID 88972268
9-methoxy-8,8-dimethyl-9-oxononanoic acid
CID 156679792
methyl 2-amino-2-methyl-6-[methyl(2-propan-2-yloxyethyl)amino]hexanoate
CID 81062130
methyl 2-amino-2-methyl-4-[methyl(2-propan-2-yloxyethyl)amino]butanoate
CID 81074648
3-amino-2,2-dimethyl-N-(3-propan-2-yloxypropyl)propanamide
CID 81484725

Frequently Asked Questions

What is the IUPAC name of methyl 2,2-dimethyl-5-propan-2-yloxypentanoate?
The IUPAC name of methyl 2,2-dimethyl-5-propan-2-yloxypentanoate (CID 59323556) is methyl 2,2-dimethyl-5-propan-2-yloxypentanoate.
What is the SMILES notation for methyl 2,2-dimethyl-5-propan-2-yloxypentanoate?
The canonical SMILES for methyl 2,2-dimethyl-5-propan-2-yloxypentanoate is COC(=O)C(C)(C)CCCOC(C)C.
What is the InChIKey of methyl 2,2-dimethyl-5-propan-2-yloxypentanoate?
The InChIKey is PZNQTENJYJCNSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-9(2)14-8-6-7-11(3,4)10(12)13-5/h9H,6-8H2,1-5H3.
What are the key properties of methyl 2,2-dimethyl-5-propan-2-yloxypentanoate?
methyl 2,2-dimethyl-5-propan-2-yloxypentanoate has a molecular weight of 202.29 g/mol, XLogP of 2.39, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,2-dimethyl-5-propan-2-yloxypentanoate is sourced from PubChem (CID 59323556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).