ethoxycyclohexane;3-methyl-2-methylidenebutanoic acid

C14H26O3 — CID 67386497

IUPACethoxycyclohexane;3-methyl-2-methylidenebutanoic acid
SMILESC=C(C(=O)O)C(C)C.CCOC1CCCCC1
InChIInChI=1S/C8H16O.C6H10O2/c1-2-9-8-6-4-3-5-7-8;1-4(2)5(3)6(7)8/h8H,2-7H2,1H3;4H,3H2,1-2H3,(H,7,8)
InChIKeyIEXHUTPEZDSUBS-UHFFFAOYSA-N
MW242.36 g/mol
LogP3.64
Rot. Bonds4

About ethoxycyclohexane;3-methyl-2-methylidenebutanoic acid

ethoxycyclohexane;3-methyl-2-methylidenebutanoic acid (PubChem CID 67386497) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is ethoxycyclohexane;3-methyl-2-methylidenebutanoic acid.

Molecular Properties

Compound Nameethoxycyclohexane;3-methyl-2-methylidenebutanoic acid
PubChem CID67386497
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Nameethoxycyclohexane;3-methyl-2-methylidenebutanoic acid
SMILESC=C(C(=O)O)C(C)C.CCOC1CCCCC1
InChIInChI=1S/C8H16O.C6H10O2/c1-2-9-8-6-4-3-5-7-8;1-4(2)5(3)6(7)8/h8H,2-7H2,1H3;4H,3H2,1-2H3,(H,7,8)
InChIKeyIEXHUTPEZDSUBS-UHFFFAOYSA-N
XLogP3.64
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of ethoxycyclohexane;3-methyl-2-methylidenebutanoic acid?
The IUPAC name of ethoxycyclohexane;3-methyl-2-methylidenebutanoic acid (CID 67386497) is ethoxycyclohexane;3-methyl-2-methylidenebutanoic acid.
What is the SMILES notation for ethoxycyclohexane;3-methyl-2-methylidenebutanoic acid?
The canonical SMILES for ethoxycyclohexane;3-methyl-2-methylidenebutanoic acid is C=C(C(=O)O)C(C)C.CCOC1CCCCC1.
What is the InChIKey of ethoxycyclohexane;3-methyl-2-methylidenebutanoic acid?
The InChIKey is IEXHUTPEZDSUBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16O.C6H10O2/c1-2-9-8-6-4-3-5-7-8;1-4(2)5(3)6(7)8/h8H,2-7H2,1H3;4H,3H2,1-2H3,(H,7,8).
What are the key properties of ethoxycyclohexane;3-methyl-2-methylidenebutanoic acid?
ethoxycyclohexane;3-methyl-2-methylidenebutanoic acid has a molecular weight of 242.36 g/mol, XLogP of 3.64, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for ethoxycyclohexane;3-methyl-2-methylidenebutanoic acid is sourced from PubChem (CID 67386497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).