(5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one

C17H28O4 — CID 173349013

IUPAC(5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC(C)C[C@@H](C(=O)C1CCCCC1)[C@@H]1OC(C)(C)OC1=O
InChIInChI=1S/C17H28O4/c1-11(2)10-13(14(18)12-8-6-5-7-9-12)15-16(19)21-17(3,4)20-15/h11-13,15H,5-10H2,1-4H3/t13-,15-/m0/s1
InChIKeyVEUNNMVMROQGNO-ZFWWWQNUSA-N
MW296.41 g/mol
LogP3.48
Rot. Bonds5

About (5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one

(5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one (PubChem CID 173349013) has the molecular formula C17H28O4 and a molecular weight of 296.41 g/mol. Its IUPAC name is (5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one.

Molecular Properties

Compound Name(5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one
PubChem CID173349013
Molecular FormulaC17H28O4
Molecular Weight296.41 g/mol
Exact Mass296.20
IUPAC Name(5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one
SMILESCC(C)C[C@@H](C(=O)C1CCCCC1)[C@@H]1OC(C)(C)OC1=O
InChIInChI=1S/C17H28O4/c1-11(2)10-13(14(18)12-8-6-5-7-9-12)15-16(19)21-17(3,4)20-15/h11-13,15H,5-10H2,1-4H3/t13-,15-/m0/s1
InChIKeyVEUNNMVMROQGNO-ZFWWWQNUSA-N
XLogP3.48
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.41
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one?
The IUPAC name of (5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one (CID 173349013) is (5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one.
What is the SMILES notation for (5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one?
The canonical SMILES for (5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one is CC(C)C[C@@H](C(=O)C1CCCCC1)[C@@H]1OC(C)(C)OC1=O.
What is the InChIKey of (5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one?
The InChIKey is VEUNNMVMROQGNO-ZFWWWQNUSA-N. The full InChI is InChI=1S/C17H28O4/c1-11(2)10-13(14(18)12-8-6-5-7-9-12)15-16(19)21-17(3,4)20-15/h11-13,15H,5-10H2,1-4H3/t13-,15-/m0/s1.
What are the key properties of (5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one?
(5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one has a molecular weight of 296.41 g/mol, XLogP of 3.48, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one is sourced from PubChem (CID 173349013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).