(1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one

C13H24O2 — CID 101013747

IUPAC(1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one
SMILESCCC(=O)[C@H](C)[C@@H](OC)C1CCCCC1
InChIInChI=1S/C13H24O2/c1-4-12(14)10(2)13(15-3)11-8-6-5-7-9-11/h10-11,13H,4-9H2,1-3H3/t10-,13+/m0/s1
InChIKeyIALVDRTZOUYZHB-GXFFZTMASA-N
MW212.33 g/mol
LogP3.20
Rot. Bonds5

About (1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one

(1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one (PubChem CID 101013747) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one.

Molecular Properties

Compound Name(1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one
PubChem CID101013747
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one
SMILESCCC(=O)[C@H](C)[C@@H](OC)C1CCCCC1
InChIInChI=1S/C13H24O2/c1-4-12(14)10(2)13(15-3)11-8-6-5-7-9-11/h10-11,13H,4-9H2,1-3H3/t10-,13+/m0/s1
InChIKeyIALVDRTZOUYZHB-GXFFZTMASA-N
XLogP3.20
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

4-cyclohexylhexan-3-one
CID 121006778
1-cyclohexyl-1-methoxy-4-methylpentan-2-ol
CID 116756323
1-cyclopropyl-1-methoxybutan-2-one
CID 83225361
1-cyclohexyl-N-ethyl-1-methoxy-3-methylbutan-2-amine
CID 116771723
[1,3-dimethoxy-2-(methoxymethyl)propyl]cyclohexane
CID 141338727
1,2-dicyclohexyl-N-ethyl-2-methoxyethanamine
CID 116771642
1-cyclohexyl-1-hydroxy-3-propan-2-yloxypropan-2-one
CID 103457527
acetaldehyde;ethane;(1-methoxy-2-methylheptyl)cycloheptane
CID 144942769
1-cyclohexyl-1-methoxydodecan-2-ol
CID 116756363
1-cyclohexyl-1-methoxynonan-2-ol
CID 14761900
2-cyclohexylpropanoyl 2-cyclohexylpropanoate
CID 88630041
(2R)-2-(cyclohexylmethoxy)pentan-3-one
CID 163532136

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one?
The IUPAC name of (1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one (CID 101013747) is (1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one.
What is the SMILES notation for (1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one?
The canonical SMILES for (1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one is CCC(=O)[C@H](C)[C@@H](OC)C1CCCCC1.
What is the InChIKey of (1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one?
The InChIKey is IALVDRTZOUYZHB-GXFFZTMASA-N. The full InChI is InChI=1S/C13H24O2/c1-4-12(14)10(2)13(15-3)11-8-6-5-7-9-11/h10-11,13H,4-9H2,1-3H3/t10-,13+/m0/s1.
What are the key properties of (1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one?
(1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one has a molecular weight of 212.33 g/mol, XLogP of 3.20, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-cyclohexyl-1-methoxy-2-methylpentan-3-one is sourced from PubChem (CID 101013747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).