propyl 5-propan-2-yloxypentanoate

C11H22O3 — CID 161272990

IUPACpropyl 5-propan-2-yloxypentanoate
SMILESCCCOC(=O)CCCCOC(C)C
InChIInChI=1S/C11H22O3/c1-4-8-14-11(12)7-5-6-9-13-10(2)3/h10H,4-9H2,1-3H3
InChIKeyVEBMGGGZGZYKIG-UHFFFAOYSA-N
MW202.29 g/mol
LogP2.53
Rot. Bonds8

About propyl 5-propan-2-yloxypentanoate

propyl 5-propan-2-yloxypentanoate (PubChem CID 161272990) has the molecular formula C11H22O3 and a molecular weight of 202.29 g/mol. Its IUPAC name is propyl 5-propan-2-yloxypentanoate.

Molecular Properties

Compound Namepropyl 5-propan-2-yloxypentanoate
PubChem CID161272990
Molecular FormulaC11H22O3
Molecular Weight202.29 g/mol
Exact Mass202.16
IUPAC Namepropyl 5-propan-2-yloxypentanoate
SMILESCCCOC(=O)CCCCOC(C)C
InChIInChI=1S/C11H22O3/c1-4-8-14-11(12)7-5-6-9-13-10(2)3/h10H,4-9H2,1-3H3
InChIKeyVEBMGGGZGZYKIG-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

propyl 4-(2-propan-2-yloxyethoxy)butanoate
CID 121469615
ethyl 4-propan-2-yloxybutanoate
CID 59323565
bis[2-(2-propan-2-yloxyethoxy)ethyl] hexanedioate
CID 122472522
1-O-propyl 10-O-tetradecyl decanedioate
CID 91736271
propyl docosanoate
CID 3015299
propyl 10-methylundecanoate
CID 138489997
heptyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121470147
dodecyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121469697
octyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121469565
10-O-(4-methylpentyl) 1-O-propyl decanedioate
CID 91736244
octyl 6,6-dioctoxyhexanoate
CID 118168748
pentyl hexanoate
CID 10886

Frequently Asked Questions

What is the IUPAC name of propyl 5-propan-2-yloxypentanoate?
The IUPAC name of propyl 5-propan-2-yloxypentanoate (CID 161272990) is propyl 5-propan-2-yloxypentanoate.
What is the SMILES notation for propyl 5-propan-2-yloxypentanoate?
The canonical SMILES for propyl 5-propan-2-yloxypentanoate is CCCOC(=O)CCCCOC(C)C.
What is the InChIKey of propyl 5-propan-2-yloxypentanoate?
The InChIKey is VEBMGGGZGZYKIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H22O3/c1-4-8-14-11(12)7-5-6-9-13-10(2)3/h10H,4-9H2,1-3H3.
What are the key properties of propyl 5-propan-2-yloxypentanoate?
propyl 5-propan-2-yloxypentanoate 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 propyl 5-propan-2-yloxypentanoate is sourced from PubChem (CID 161272990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).