ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane

C13H28O2 — CID 142438427

IUPACethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
SMILESC.CC.CCOC(=O)C1(C)CCCCC1
InChIInChI=1S/C10H18O2.C2H6.CH4/c1-3-12-9(11)10(2)7-5-4-6-8-10;1-2;/h3-8H2,1-2H3;1-2H3;1H4
InChIKeyLEUZIJVIGIQWFQ-UHFFFAOYSA-N
MW216.36 g/mol
LogP4.18
Rot. Bonds2

About ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane

ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane (PubChem CID 142438427) has the molecular formula C13H28O2 and a molecular weight of 216.36 g/mol. Its IUPAC name is ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane.

Molecular Properties

Compound Nameethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
PubChem CID142438427
Molecular FormulaC13H28O2
Molecular Weight216.36 g/mol
Exact Mass216.21
IUPAC Nameethane;ethyl 1-methylcyclohexane-1-carboxylate;methane
SMILESC.CC.CCOC(=O)C1(C)CCCCC1
InChIInChI=1S/C10H18O2.C2H6.CH4/c1-3-12-9(11)10(2)7-5-4-6-8-10;1-2;/h3-8H2,1-2H3;1-2H3;1H4
InChIKeyLEUZIJVIGIQWFQ-UHFFFAOYSA-N
XLogP4.18
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.36
LogP ≤ 54.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

ethyl 8-methyl-1,4-dioxaspiro[4.51]hexapentacontane-8-carboxylate
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ethyl (3R)-3-methylpiperidine-3-carboxylate;hydrochloride
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2-hydroxyethyl 1-methylcyclohexane-1-carboxylate
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ethyl 4-ethyl-1-methylcycloheptane-1-carboxylate
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ethyl 1-fluorocyclopentane-1-carboxylate
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ethyl 2-(1-methylcyclopentyl)-2-oxoacetate
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2-methylprop-2-enyl 1-methylcyclohexane-1-carboxylate
CID 171620113
ethyl 4-methyl-1-[2-(4-methylpiperazin-1-yl)ethyl]piperidine-4-carboxylate
CID 118534908
ethyl 3-methylpyrrolidine-3-carboxylate;hydrochloride
CID 71756654
ethyl 1-carbonochloridoylcyclohexane-1-carboxylate
CID 23208979
2-sulfanylidenepropyl 1-methylcyclopentane-1-carboxylate
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Frequently Asked Questions

What is the IUPAC name of ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane?
The IUPAC name of ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane (CID 142438427) is ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane.
What is the SMILES notation for ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane?
The canonical SMILES for ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane is C.CC.CCOC(=O)C1(C)CCCCC1.
What is the InChIKey of ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane?
The InChIKey is LEUZIJVIGIQWFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2.C2H6.CH4/c1-3-12-9(11)10(2)7-5-4-6-8-10;1-2;/h3-8H2,1-2H3;1-2H3;1H4.
What are the key properties of ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane?
ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane has a molecular weight of 216.36 g/mol, XLogP of 4.18, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;ethyl 1-methylcyclohexane-1-carboxylate;methane is sourced from PubChem (CID 142438427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).