(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone

C17H30O2 — CID 116749474

IUPAC(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone
SMILESCCOC1(C(=O)C2CCC(C)CC2)CCC(C)CC1
InChIInChI=1S/C17H30O2/c1-4-19-17(11-9-14(3)10-12-17)16(18)15-7-5-13(2)6-8-15/h13-15H,4-12H2,1-3H3
InChIKeyXTVVTBKCJSKKHB-UHFFFAOYSA-N
MW266.42 g/mol
LogP4.37
Rot. Bonds4

About (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone

(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone (PubChem CID 116749474) has the molecular formula C17H30O2 and a molecular weight of 266.42 g/mol. Its IUPAC name is (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone.

Molecular Properties

Compound Name(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone
PubChem CID116749474
Molecular FormulaC17H30O2
Molecular Weight266.42 g/mol
Exact Mass266.22
IUPAC Name(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone
SMILESCCOC1(C(=O)C2CCC(C)CC2)CCC(C)CC1
InChIInChI=1S/C17H30O2/c1-4-19-17(11-9-14(3)10-12-17)16(18)15-7-5-13(2)6-8-15/h13-15H,4-12H2,1-3H3
InChIKeyXTVVTBKCJSKKHB-UHFFFAOYSA-N
XLogP4.37
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.42
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone?
The IUPAC name of (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone (CID 116749474) is (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone.
What is the SMILES notation for (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone?
The canonical SMILES for (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone is CCOC1(C(=O)C2CCC(C)CC2)CCC(C)CC1.
What is the InChIKey of (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone?
The InChIKey is XTVVTBKCJSKKHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H30O2/c1-4-19-17(11-9-14(3)10-12-17)16(18)15-7-5-13(2)6-8-15/h13-15H,4-12H2,1-3H3.
What are the key properties of (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone?
(1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone has a molecular weight of 266.42 g/mol, XLogP of 4.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethoxy-4-methylcyclohexyl)-(4-methylcyclohexyl)methanone is sourced from PubChem (CID 116749474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).