4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one

C12H22O3 — CID 103033788

IUPAC4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one
SMILESCOC(C)(C)CCOC1CCC(=O)CC1
InChIInChI=1S/C12H22O3/c1-12(2,14-3)8-9-15-11-6-4-10(13)5-7-11/h11H,4-9H2,1-3H3
InChIKeyBQGPADMMTWQSMV-UHFFFAOYSA-N
MW214.30 g/mol
LogP2.33
Rot. Bonds5

About 4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one

4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one (PubChem CID 103033788) has the molecular formula C12H22O3 and a molecular weight of 214.30 g/mol. Its IUPAC name is 4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one.

Molecular Properties

Compound Name4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one
PubChem CID103033788
Molecular FormulaC12H22O3
Molecular Weight214.30 g/mol
Exact Mass214.16
IUPAC Name4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one
SMILESCOC(C)(C)CCOC1CCC(=O)CC1
InChIInChI=1S/C12H22O3/c1-12(2,14-3)8-9-15-11-6-4-10(13)5-7-11/h11H,4-9H2,1-3H3
InChIKeyBQGPADMMTWQSMV-UHFFFAOYSA-N
XLogP2.33
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.30
LogP ≤ 52.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

4-(3-methoxy-3-methylbutoxy)piperidine
CID 59527126
4-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxylic acid
CID 103032588
4-(3-methoxy-3-methylbutoxy)azepane
CID 106668192
4-(3-methylbut-3-enoxy)cyclohexan-1-one
CID 114472654
1-amino-3-(3-methoxy-3-methylbutoxy)cyclohexane-1-carboxamide
CID 106666723
3-[2-(2-methoxyethoxy)ethoxy]cyclopentan-1-one
CID 104563937
4-(2-methylprop-2-enoxy)cyclohexan-1-one
CID 18980421
2-(3-methoxy-3-methylbutoxy)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
CID 106665401
4-[(1-methylcyclobutyl)methoxy]cyclohexan-1-one
CID 130601097
3-(3-methoxy-3-methylbutoxy)-1-(propan-2-ylamino)cyclopentane-1-carboxamide
CID 106666769
4-(cyclopropylmethoxymethoxy)cyclohexan-1-one
CID 106929555
4-methoxycycloheptan-1-one
CID 551377

Frequently Asked Questions

What is the IUPAC name of 4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one?
The IUPAC name of 4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one (CID 103033788) is 4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one.
What is the SMILES notation for 4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one?
The canonical SMILES for 4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one is COC(C)(C)CCOC1CCC(=O)CC1.
What is the InChIKey of 4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one?
The InChIKey is BQGPADMMTWQSMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22O3/c1-12(2,14-3)8-9-15-11-6-4-10(13)5-7-11/h11H,4-9H2,1-3H3.
What are the key properties of 4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one?
4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one has a molecular weight of 214.30 g/mol, XLogP of 2.33, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-methoxy-3-methylbutoxy)cyclohexan-1-one is sourced from PubChem (CID 103033788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).