[1-(2-methylpropanoyl)cyclohexyl]oxy formate

C11H18O4 — CID 175217339

IUPAC[1-(2-methylpropanoyl)cyclohexyl]oxy formate
SMILESCC(C)C(=O)C1(OOC=O)CCCCC1
InChIInChI=1S/C11H18O4/c1-9(2)10(13)11(15-14-8-12)6-4-3-5-7-11/h8-9H,3-7H2,1-2H3
InChIKeyPKNSIHJYWFZLSC-UHFFFAOYSA-N
MW214.26 g/mol
LogP2.02
Rot. Bonds5

About [1-(2-methylpropanoyl)cyclohexyl]oxy formate

[1-(2-methylpropanoyl)cyclohexyl]oxy formate (PubChem CID 175217339) has the molecular formula C11H18O4 and a molecular weight of 214.26 g/mol. Its IUPAC name is [1-(2-methylpropanoyl)cyclohexyl]oxy formate.

Molecular Properties

Compound Name[1-(2-methylpropanoyl)cyclohexyl]oxy formate
PubChem CID175217339
Molecular FormulaC11H18O4
Molecular Weight214.26 g/mol
Exact Mass214.12
IUPAC Name[1-(2-methylpropanoyl)cyclohexyl]oxy formate
SMILESCC(C)C(=O)C1(OOC=O)CCCCC1
InChIInChI=1S/C11H18O4/c1-9(2)10(13)11(15-14-8-12)6-4-3-5-7-11/h8-9H,3-7H2,1-2H3
InChIKeyPKNSIHJYWFZLSC-UHFFFAOYSA-N
XLogP2.02
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.26
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'peroxide', 'substructure': 'N/A'}

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Related Compounds

2-methyl-1-(1-propan-2-yloxycyclohexyl)propan-1-one
CID 176614549
2-methyl-1-[1-(2-methylpropoxy)cyclohexyl]propan-1-one
CID 176614695
1-(1-methoxycyclopentyl)-2-methylpropan-1-one
CID 104610067
1-(1-ethoxycyclobutyl)-2-methylpropan-1-one
CID 176614668
2-methyl-1-[1-(3-methylbutan-2-yloxy)cyclopentyl]propan-1-one
CID 176614503
1-(1-butoxycyclopentyl)-2-methylpropan-1-one
CID 176614425
1-(1-butan-2-yloxycyclopentyl)-2-methylpropan-1-one
CID 176614445
2-methyl-1-(1-methylcycloundecyl)propan-1-one
CID 123902684
2-methyl-1-[1-(2-methylbutan-2-yloxy)cyclobutyl]propan-1-one
CID 176614706
(1-methylcyclohexyl) 1-formyloxycyclohexane-1-carboxylate
CID 91801893
(1-acetylcyclohexyl)oxy hydrogen sulfate
CID 154121512
2-methyl-1-[1-(3-methylbutoxy)cyclopropyl]propan-1-one
CID 176614654

Frequently Asked Questions

What is the IUPAC name of [1-(2-methylpropanoyl)cyclohexyl]oxy formate?
The IUPAC name of [1-(2-methylpropanoyl)cyclohexyl]oxy formate (CID 175217339) is [1-(2-methylpropanoyl)cyclohexyl]oxy formate.
What is the SMILES notation for [1-(2-methylpropanoyl)cyclohexyl]oxy formate?
The canonical SMILES for [1-(2-methylpropanoyl)cyclohexyl]oxy formate is CC(C)C(=O)C1(OOC=O)CCCCC1.
What is the InChIKey of [1-(2-methylpropanoyl)cyclohexyl]oxy formate?
The InChIKey is PKNSIHJYWFZLSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O4/c1-9(2)10(13)11(15-14-8-12)6-4-3-5-7-11/h8-9H,3-7H2,1-2H3.
What are the key properties of [1-(2-methylpropanoyl)cyclohexyl]oxy formate?
[1-(2-methylpropanoyl)cyclohexyl]oxy formate has a molecular weight of 214.26 g/mol, XLogP of 2.02, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methylpropanoyl)cyclohexyl]oxy formate is sourced from PubChem (CID 175217339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).