(4S)-4-cyclopentyloxy-2-methylheptan-3-one

C13H24O2 — CID 176614620

IUPAC(4S)-4-cyclopentyloxy-2-methylheptan-3-one
SMILESCCC[C@H](OC1CCCC1)C(=O)C(C)C
InChIInChI=1S/C13H24O2/c1-4-7-12(13(14)10(2)3)15-11-8-5-6-9-11/h10-12H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyYSELVRKOPLENDI-LBPRGKRZSA-N
MW212.33 g/mol
LogP3.34
Rot. Bonds6

About (4S)-4-cyclopentyloxy-2-methylheptan-3-one

(4S)-4-cyclopentyloxy-2-methylheptan-3-one (PubChem CID 176614620) has the molecular formula C13H24O2 and a molecular weight of 212.33 g/mol. Its IUPAC name is (4S)-4-cyclopentyloxy-2-methylheptan-3-one.

Molecular Properties

Compound Name(4S)-4-cyclopentyloxy-2-methylheptan-3-one
PubChem CID176614620
Molecular FormulaC13H24O2
Molecular Weight212.33 g/mol
Exact Mass212.18
IUPAC Name(4S)-4-cyclopentyloxy-2-methylheptan-3-one
SMILESCCC[C@H](OC1CCCC1)C(=O)C(C)C
InChIInChI=1S/C13H24O2/c1-4-7-12(13(14)10(2)3)15-11-8-5-6-9-11/h10-12H,4-9H2,1-3H3/t12-/m0/s1
InChIKeyYSELVRKOPLENDI-LBPRGKRZSA-N
XLogP3.34
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.33
LogP ≤ 53.34
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

diethyl 2-cyclohexyloxybutanedioate
CID 139989318
diethyl 2,3-dicyclopentyloxybutanedioate
CID 139989407
cyclohexyl 2-ethoxypentanoate
CID 70132370
ethyl 2-piperidin-4-yloxypentanoate
CID 106939245
ethyl 2-[(3S)-piperidin-3-yl]oxypentanoate
CID 106940483
(1R)-1-cyclobutyloxy-1-cyclopropyl-3-methylbutan-2-one
CID 176614533
cyclopentyl 2-aminopentanoate
CID 61278203
(4S)-2-methyl-4-pentoxyheptan-3-one
CID 176614689
2-(4,4-dimethylcyclohexyl)oxypentanehydrazide
CID 114342660
4-cycloheptyloxypentanehydrazide
CID 63571096
1-cyclopentyloxybutyl 2-methyl-2-propan-2-ylpentanoate
CID 144561227
methyl 3-cyclohexyloxybutanoate
CID 43612104

Frequently Asked Questions

What is the IUPAC name of (4S)-4-cyclopentyloxy-2-methylheptan-3-one?
The IUPAC name of (4S)-4-cyclopentyloxy-2-methylheptan-3-one (CID 176614620) is (4S)-4-cyclopentyloxy-2-methylheptan-3-one.
What is the SMILES notation for (4S)-4-cyclopentyloxy-2-methylheptan-3-one?
The canonical SMILES for (4S)-4-cyclopentyloxy-2-methylheptan-3-one is CCC[C@H](OC1CCCC1)C(=O)C(C)C.
What is the InChIKey of (4S)-4-cyclopentyloxy-2-methylheptan-3-one?
The InChIKey is YSELVRKOPLENDI-LBPRGKRZSA-N. The full InChI is InChI=1S/C13H24O2/c1-4-7-12(13(14)10(2)3)15-11-8-5-6-9-11/h10-12H,4-9H2,1-3H3/t12-/m0/s1.
What are the key properties of (4S)-4-cyclopentyloxy-2-methylheptan-3-one?
(4S)-4-cyclopentyloxy-2-methylheptan-3-one has a molecular weight of 212.33 g/mol, XLogP of 3.34, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-cyclopentyloxy-2-methylheptan-3-one is sourced from PubChem (CID 176614620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).