2-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexan-1-one

C15H26O3 — CID 10777353

IUPAC2-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexan-1-one
SMILESCCC1(CC)OC[C@H](CCC2CCCCC2=O)O1
InChIInChI=1S/C15H26O3/c1-3-15(4-2)17-11-13(18-15)10-9-12-7-5-6-8-14(12)16/h12-13H,3-11H2,1-2H3/t12?,13-/m0/s1
InChIKeyKOUXOIXHNUWHGF-ABLWVSNPSA-N
MW254.37 g/mol
LogP3.46
Rot. Bonds5

About 2-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexan-1-one

2-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexan-1-one (PubChem CID 10777353) has the molecular formula C15H26O3 and a molecular weight of 254.37 g/mol. Its IUPAC name is 2-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexan-1-one.

Molecular Properties

Compound Name2-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexan-1-one
PubChem CID10777353
Molecular FormulaC15H26O3
Molecular Weight254.37 g/mol
Exact Mass254.19
IUPAC Name2-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexan-1-one
SMILESCCC1(CC)OC[C@H](CCC2CCCCC2=O)O1
InChIInChI=1S/C15H26O3/c1-3-15(4-2)17-11-13(18-15)10-9-12-7-5-6-8-14(12)16/h12-13H,3-11H2,1-2H3/t12?,13-/m0/s1
InChIKeyKOUXOIXHNUWHGF-ABLWVSNPSA-N
XLogP3.46
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.37
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexan-1-one?
The IUPAC name of 2-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexan-1-one (CID 10777353) is 2-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexan-1-one.
What is the SMILES notation for 2-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexan-1-one?
The canonical SMILES for 2-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexan-1-one is CCC1(CC)OC[C@H](CCC2CCCCC2=O)O1.
What is the InChIKey of 2-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexan-1-one?
The InChIKey is KOUXOIXHNUWHGF-ABLWVSNPSA-N. The full InChI is InChI=1S/C15H26O3/c1-3-15(4-2)17-11-13(18-15)10-9-12-7-5-6-8-14(12)16/h12-13H,3-11H2,1-2H3/t12?,13-/m0/s1.
What are the key properties of 2-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexan-1-one?
2-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexan-1-one has a molecular weight of 254.37 g/mol, XLogP of 3.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(4S)-2,2-diethyl-1,3-dioxolan-4-yl]ethyl]cyclohexan-1-one is sourced from PubChem (CID 10777353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).