cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate

C15H28O4 — CID 121470128

IUPACcyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate
SMILESCC(C)OCCOCCCC(=O)OC1CCCCC1
InChIInChI=1S/C15H28O4/c1-13(2)18-12-11-17-10-6-9-15(16)19-14-7-4-3-5-8-14/h13-14H,3-12H2,1-2H3
InChIKeyIAXLOKZCWISODZ-UHFFFAOYSA-N
MW272.38 g/mol
LogP3.08
Rot. Bonds9

About cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate

cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate (PubChem CID 121470128) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate.

Molecular Properties

Compound Namecyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate
PubChem CID121470128
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Namecyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate
SMILESCC(C)OCCOCCCC(=O)OC1CCCCC1
InChIInChI=1S/C15H28O4/c1-13(2)18-12-11-17-10-6-9-15(16)19-14-7-4-3-5-8-14/h13-14H,3-12H2,1-2H3
InChIKeyIAXLOKZCWISODZ-UHFFFAOYSA-N
XLogP3.08
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

cyclohexyl 4-[2-[2-(2-ethoxyethoxy)ethoxy]ethoxy]butanoate
CID 121470388
cyclohexyl 4-[2-(2-butoxyethoxy)ethoxy]butanoate
CID 121469386
cyclohexyl 6-propoxyhexanoate
CID 134561647
dicyclohexyl pentanedioate
CID 15593941
cycloheptyl 6-ethoxyhexanoate
CID 134561724
cyclohexyl 4-(propan-2-ylamino)butanoate
CID 61279414
cyclopentyl 4-aminooxybutanoate
CID 145423732
propyl 4-(2-propan-2-yloxyethoxy)butanoate
CID 121469615
dodecyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121469697
heptyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121470147
octyl 4-[2-(2-propan-2-yloxyethoxy)ethoxy]butanoate
CID 121469565
6-O-cyclohexyl 1-O-(7-methyloctyl) hexanedioate
CID 140963269

Frequently Asked Questions

What is the IUPAC name of cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate?
The IUPAC name of cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate (CID 121470128) is cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate.
What is the SMILES notation for cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate?
The canonical SMILES for cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate is CC(C)OCCOCCCC(=O)OC1CCCCC1.
What is the InChIKey of cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate?
The InChIKey is IAXLOKZCWISODZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H28O4/c1-13(2)18-12-11-17-10-6-9-15(16)19-14-7-4-3-5-8-14/h13-14H,3-12H2,1-2H3.
What are the key properties of cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate?
cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate has a molecular weight of 272.38 g/mol, XLogP of 3.08, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclohexyl 4-(2-propan-2-yloxyethoxy)butanoate is sourced from PubChem (CID 121470128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).