4-formyloxybutyl 4-butylcyclohexane-1-carboxylate

C16H28O4 — CID 90194300

IUPAC4-formyloxybutyl 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)OCCCCOC=O)CC1
InChIInChI=1S/C16H28O4/c1-2-3-6-14-7-9-15(10-8-14)16(18)20-12-5-4-11-19-13-17/h13-15H,2-12H2,1H3
InChIKeyUJINOZZAIWANRJ-UHFFFAOYSA-N
MW284.40 g/mol
LogP3.48
Rot. Bonds10

About 4-formyloxybutyl 4-butylcyclohexane-1-carboxylate

4-formyloxybutyl 4-butylcyclohexane-1-carboxylate (PubChem CID 90194300) has the molecular formula C16H28O4 and a molecular weight of 284.40 g/mol. Its IUPAC name is 4-formyloxybutyl 4-butylcyclohexane-1-carboxylate.

Molecular Properties

Compound Name4-formyloxybutyl 4-butylcyclohexane-1-carboxylate
PubChem CID90194300
Molecular FormulaC16H28O4
Molecular Weight284.40 g/mol
Exact Mass284.20
IUPAC Name4-formyloxybutyl 4-butylcyclohexane-1-carboxylate
SMILESCCCCC1CCC(C(=O)OCCCCOC=O)CC1
InChIInChI=1S/C16H28O4/c1-2-3-6-14-7-9-15(10-8-14)16(18)20-12-5-4-11-19-13-17/h13-15H,2-12H2,1H3
InChIKeyUJINOZZAIWANRJ-UHFFFAOYSA-N
XLogP3.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.40
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

butyl 4-(2-fluoroethyl)cyclohexane-1-carboxylate
CID 70829178
6-prop-2-enoyloxyhexyl 4-pentylcyclohexane-1-carboxylate
CID 126578276
4-O-decyl 1-O-octyl cyclohexane-1,4-dicarboxylate
CID 66984073
pentadecyl cyclopropanecarboxylate
CID 560133
prop-2-enyl 4-butylcyclohexane-1-carboxylate
CID 139948297
butyl 4-[[4-(6-formyloxyhexoxy)phenyl]peroxymethyl]cyclohexane-1-carboxylate
CID 146262505
hexadecyl cyclopropanecarboxylate;silver
CID 87290012
4-(4-pentylcyclohexyl)pentyl 4-butylcyclohexane-1-carboxylate
CID 23334914
4-[4-(4-butoxycarbonylcyclohexanecarbonyl)oxybutoxycarbonyl]cyclohexane-1-carboxylic acid
CID 118066352
4-hexoxycarbonylcyclohexane-1-carboxylic acid
CID 66983917
4-heptoxycarbonylcyclohexane-1-carboxylic acid
CID 66984396
4-tridecoxycarbonylcyclohexane-1-carboxylic acid
CID 141262604

Frequently Asked Questions

What is the IUPAC name of 4-formyloxybutyl 4-butylcyclohexane-1-carboxylate?
The IUPAC name of 4-formyloxybutyl 4-butylcyclohexane-1-carboxylate (CID 90194300) is 4-formyloxybutyl 4-butylcyclohexane-1-carboxylate.
What is the SMILES notation for 4-formyloxybutyl 4-butylcyclohexane-1-carboxylate?
The canonical SMILES for 4-formyloxybutyl 4-butylcyclohexane-1-carboxylate is CCCCC1CCC(C(=O)OCCCCOC=O)CC1.
What is the InChIKey of 4-formyloxybutyl 4-butylcyclohexane-1-carboxylate?
The InChIKey is UJINOZZAIWANRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O4/c1-2-3-6-14-7-9-15(10-8-14)16(18)20-12-5-4-11-19-13-17/h13-15H,2-12H2,1H3.
What are the key properties of 4-formyloxybutyl 4-butylcyclohexane-1-carboxylate?
4-formyloxybutyl 4-butylcyclohexane-1-carboxylate has a molecular weight of 284.40 g/mol, XLogP of 3.48, 10 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-formyloxybutyl 4-butylcyclohexane-1-carboxylate is sourced from PubChem (CID 90194300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).