ethyl formate;(2-methylpropan-2-yl)oxycyclohexane

C13H26O3 — CID 143998668

IUPACethyl formate;(2-methylpropan-2-yl)oxycyclohexane
SMILESCC(C)(C)OC1CCCCC1.CCOC=O
InChIInChI=1S/C10H20O.C3H6O2/c1-10(2,3)11-9-7-5-4-6-8-9;1-2-5-3-4/h9H,4-8H2,1-3H3;3H,2H2,1H3
InChIKeyNNLXQJOULTYECS-UHFFFAOYSA-N
MW230.35 g/mol
LogP3.31
Rot. Bonds3

About ethyl formate;(2-methylpropan-2-yl)oxycyclohexane

ethyl formate;(2-methylpropan-2-yl)oxycyclohexane (PubChem CID 143998668) has the molecular formula C13H26O3 and a molecular weight of 230.35 g/mol. Its IUPAC name is ethyl formate;(2-methylpropan-2-yl)oxycyclohexane.

Molecular Properties

Compound Nameethyl formate;(2-methylpropan-2-yl)oxycyclohexane
PubChem CID143998668
Molecular FormulaC13H26O3
Molecular Weight230.35 g/mol
Exact Mass230.19
IUPAC Nameethyl formate;(2-methylpropan-2-yl)oxycyclohexane
SMILESCC(C)(C)OC1CCCCC1.CCOC=O
InChIInChI=1S/C10H20O.C3H6O2/c1-10(2,3)11-9-7-5-4-6-8-9;1-2-5-3-4/h9H,4-8H2,1-3H3;3H,2H2,1H3
InChIKeyNNLXQJOULTYECS-UHFFFAOYSA-N
XLogP3.31
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.35
LogP ≤ 53.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

cyclohexanecarbaldehyde;ethyl formate
CID 175526920
cyclohexyloxy thiohypoiodite;ethyl formate
CID 167519720
bicyclo[2.2.2]octane;ethyl formate
CID 174816311
cyclopropanol;ethyl formate
CID 157277391
cyclobutanamine;ethyl formate;hydrochloride
CID 174777526
bis((2-methylpropan-2-yl)oxycyclopentane);(2-methylpropan-2-yl)oxycyclopropane;(2-methylpropan-2-yl)oxymethylcyclopropane
CID 159465161
cyclopropanamine;ethyl formate;hydrochloride
CID 172851986
lithium;ethyl formate;hydroxide
CID 174914217
ethyl formate;7-oxabicyclo[2.2.1]heptane
CID 143754176
calcium;ethyl formate;dichloride
CID 174827324
ethyl formate;methanol
CID 87496134
ethyl formate;2-methylcyclohexan-1-one
CID 174850606

Frequently Asked Questions

What is the IUPAC name of ethyl formate;(2-methylpropan-2-yl)oxycyclohexane?
The IUPAC name of ethyl formate;(2-methylpropan-2-yl)oxycyclohexane (CID 143998668) is ethyl formate;(2-methylpropan-2-yl)oxycyclohexane.
What is the SMILES notation for ethyl formate;(2-methylpropan-2-yl)oxycyclohexane?
The canonical SMILES for ethyl formate;(2-methylpropan-2-yl)oxycyclohexane is CC(C)(C)OC1CCCCC1.CCOC=O.
What is the InChIKey of ethyl formate;(2-methylpropan-2-yl)oxycyclohexane?
The InChIKey is NNLXQJOULTYECS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H20O.C3H6O2/c1-10(2,3)11-9-7-5-4-6-8-9;1-2-5-3-4/h9H,4-8H2,1-3H3;3H,2H2,1H3.
What are the key properties of ethyl formate;(2-methylpropan-2-yl)oxycyclohexane?
ethyl formate;(2-methylpropan-2-yl)oxycyclohexane has a molecular weight of 230.35 g/mol, XLogP of 3.31, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl formate;(2-methylpropan-2-yl)oxycyclohexane is sourced from PubChem (CID 143998668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).