4-(2-methoxypropan-2-yl)cyclohexan-1-one

C10H18O2 — CID 126481329

IUPAC4-(2-methoxypropan-2-yl)cyclohexan-1-one
SMILESCOC(C)(C)C1CCC(=O)CC1
InChIInChI=1S/C10H18O2/c1-10(2,12-3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
InChIKeyWNBVCERNJBWBQB-UHFFFAOYSA-N
MW170.25 g/mol
LogP2.17
Rot. Bonds2

About 4-(2-methoxypropan-2-yl)cyclohexan-1-one

4-(2-methoxypropan-2-yl)cyclohexan-1-one (PubChem CID 126481329) has the molecular formula C10H18O2 and a molecular weight of 170.25 g/mol. Its IUPAC name is 4-(2-methoxypropan-2-yl)cyclohexan-1-one.

Molecular Properties

Compound Name4-(2-methoxypropan-2-yl)cyclohexan-1-one
PubChem CID126481329
Molecular FormulaC10H18O2
Molecular Weight170.25 g/mol
Exact Mass170.13
IUPAC Name4-(2-methoxypropan-2-yl)cyclohexan-1-one
SMILESCOC(C)(C)C1CCC(=O)CC1
InChIInChI=1S/C10H18O2/c1-10(2,12-3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3
InChIKeyWNBVCERNJBWBQB-UHFFFAOYSA-N
XLogP2.17
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.25
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxypropan-2-yl)cyclohexan-1-one?
The IUPAC name of 4-(2-methoxypropan-2-yl)cyclohexan-1-one (CID 126481329) is 4-(2-methoxypropan-2-yl)cyclohexan-1-one.
What is the SMILES notation for 4-(2-methoxypropan-2-yl)cyclohexan-1-one?
The canonical SMILES for 4-(2-methoxypropan-2-yl)cyclohexan-1-one is COC(C)(C)C1CCC(=O)CC1.
What is the InChIKey of 4-(2-methoxypropan-2-yl)cyclohexan-1-one?
The InChIKey is WNBVCERNJBWBQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O2/c1-10(2,12-3)8-4-6-9(11)7-5-8/h8H,4-7H2,1-3H3.
What are the key properties of 4-(2-methoxypropan-2-yl)cyclohexan-1-one?
4-(2-methoxypropan-2-yl)cyclohexan-1-one has a molecular weight of 170.25 g/mol, XLogP of 2.17, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methoxypropan-2-yl)cyclohexan-1-one is sourced from PubChem (CID 126481329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).