4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one

C14H26O3 — CID 116749704

IUPAC4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one
SMILESCOCCC(C)C(=O)C1(OC)CCCC(C)C1
InChIInChI=1S/C14H26O3/c1-11-6-5-8-14(10-11,17-4)13(15)12(2)7-9-16-3/h11-12H,5-10H2,1-4H3
InChIKeyBUVJFOYFDLJPSB-UHFFFAOYSA-N
MW242.36 g/mol
LogP2.82
Rot. Bonds6

About 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one

4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one (PubChem CID 116749704) has the molecular formula C14H26O3 and a molecular weight of 242.36 g/mol. Its IUPAC name is 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one.

Molecular Properties

Compound Name4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one
PubChem CID116749704
Molecular FormulaC14H26O3
Molecular Weight242.36 g/mol
Exact Mass242.19
IUPAC Name4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one
SMILESCOCCC(C)C(=O)C1(OC)CCCC(C)C1
InChIInChI=1S/C14H26O3/c1-11-6-5-8-14(10-11,17-4)13(15)12(2)7-9-16-3/h11-12H,5-10H2,1-4H3
InChIKeyBUVJFOYFDLJPSB-UHFFFAOYSA-N
XLogP2.82
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.36
LogP ≤ 52.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one?
The IUPAC name of 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one (CID 116749704) is 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one.
What is the SMILES notation for 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one?
The canonical SMILES for 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one is COCCC(C)C(=O)C1(OC)CCCC(C)C1.
What is the InChIKey of 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one?
The InChIKey is BUVJFOYFDLJPSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H26O3/c1-11-6-5-8-14(10-11,17-4)13(15)12(2)7-9-16-3/h11-12H,5-10H2,1-4H3.
What are the key properties of 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one?
4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one has a molecular weight of 242.36 g/mol, XLogP of 2.82, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-1-(1-methoxy-3-methylcyclohexyl)-2-methylbutan-1-one is sourced from PubChem (CID 116749704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).