propan-2-yl 5-propoxypentanoate

C11H22O3 — CID 134561604

IUPACpropan-2-yl 5-propoxypentanoate
SMILESCCCOCCCCC(=O)OC(C)C
InChIInChI=1S/C11H22O3/c1-4-8-13-9-6-5-7-11(12)14-10(2)3/h10H,4-9H2,1-3H3
InChIKeyJQWDCXRLZUEOOQ-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.53
Rot. Bonds8

About propan-2-yl 5-propoxypentanoate

propan-2-yl 5-propoxypentanoate (PubChem CID 134561604) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is propan-2-yl 5-propoxypentanoate.

Molecular Properties

Compound Namepropan-2-yl 5-propoxypentanoate
PubChem CID134561604
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Namepropan-2-yl 5-propoxypentanoate
SMILESCCCOCCCCC(=O)OC(C)C
InChIInChI=1S/C11H22O3/c1-4-8-13-9-6-5-7-11(12)14-10(2)3/h10H,4-9H2,1-3H3
InChIKeyJQWDCXRLZUEOOQ-UHFFFAOYSA-N
XLogP2.53
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.29
LogP ≤ 52.53
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

propan-2-yl 4-(2-dodecoxyethoxy)butanoate
CID 121469783
propan-2-yl 4-[2-(2-hexoxyethoxy)ethoxy]butanoate
CID 121469801
propan-2-yl 4-(2-ethoxyethoxy)butanoate
CID 121470224
6-methylheptan-2-yl 5-propoxypentanoate
CID 134561735
propan-2-yl undecanoate
CID 3016538
hexadecyl hexadecanoate;propan-2-yl hexadecanoate
CID 160751215
propan-2-yl dodecanoate;titanium(2+)
CID 18314327
methyl 6-propoxyhexanoate
CID 68704998
propan-2-yl 4-[2-[2-(3-methylbutoxy)ethoxy]ethoxy]butanoate
CID 121469653
1-O-heptadecyl 5-O-propan-2-yl pentanedioate
CID 91705493
bis[1-(2-hexoxyethoxy)ethyl] hexanedioate
CID 87924919
bis(3-propoxypropyl) hexanedioate
CID 174802487

Frequently Asked Questions

What is the IUPAC name of propan-2-yl 5-propoxypentanoate?
The IUPAC name of propan-2-yl 5-propoxypentanoate (CID 134561604) is propan-2-yl 5-propoxypentanoate.
What is the SMILES notation for propan-2-yl 5-propoxypentanoate?
The canonical SMILES for propan-2-yl 5-propoxypentanoate is CCCOCCCCC(=O)OC(C)C.
What is the InChIKey of propan-2-yl 5-propoxypentanoate?
The InChIKey is JQWDCXRLZUEOOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-8-13-9-6-5-7-11(12)14-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of propan-2-yl 5-propoxypentanoate?
propan-2-yl 5-propoxypentanoate has a molecular weight of 202.29 g/mol, XLogP of 2.53, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 5-propoxypentanoate is sourced from PubChem (CID 134561604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).