[(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone

C17H26O4 — CID 59045181

IUPAC[(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone
SMILESCC1(C)O[C@H](C(=O)C2CCCC2)[C@@H](C(=O)C2CCCC2)O1
InChIInChI=1S/C17H26O4/c1-17(2)20-15(13(18)11-7-3-4-8-11)16(21-17)14(19)12-9-5-6-10-12/h11-12,15-16H,3-10H2,1-2H3/t15-,16-/m1/s1
InChIKeyWWOAKJWNGSVLOU-HZPDHXFCSA-N
MW294.39 g/mol
LogP3.03
Rot. Bonds4

About [(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone

[(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone (PubChem CID 59045181) has the molecular formula C17H26O4 and a molecular weight of 294.39 g/mol. Its IUPAC name is [(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone.

Molecular Properties

Compound Name[(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone
PubChem CID59045181
Molecular FormulaC17H26O4
Molecular Weight294.39 g/mol
Exact Mass294.18
IUPAC Name[(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone
SMILESCC1(C)O[C@H](C(=O)C2CCCC2)[C@@H](C(=O)C2CCCC2)O1
InChIInChI=1S/C17H26O4/c1-17(2)20-15(13(18)11-7-3-4-8-11)16(21-17)14(19)12-9-5-6-10-12/h11-12,15-16H,3-10H2,1-2H3/t15-,16-/m1/s1
InChIKeyWWOAKJWNGSVLOU-HZPDHXFCSA-N
XLogP3.03
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.39
LogP ≤ 53.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone with MolForge

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Related Compounds

cyclohexyl-[(4R,5S)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
CID 102107681
1-[(4R,5R)-2,2-dimethyl-5-(2-methylpropanoyl)-1,3-dioxolan-4-yl]-2-methylpropan-1-one
CID 12990201
[(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone
CID 12990202
(5S)-5-[(2R)-1-cyclohexyl-4-methyl-1-oxopentan-2-yl]-2,2-dimethyl-1,3-dioxolan-4-one
CID 173349013
1-[(4S,5R)-2,2-dimethyl-5-(2-methylpropyl)-1,3-dioxolan-4-yl]pentan-1-one
CID 49780957
CID 71812475
CID 71812475
1-[(4S,5S)-2,2-dimethyl-5-(2-methylpropanoyl)-1,3-dioxolan-4-yl]-2-methylpropan-1-one
CID 101412832
[(4S,5S)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone
CID 101412833
1-[2,2-Dimethyl-5-(2-methylbutyl)-1,3-dioxolan-4-yl]ethanone
CID 144483617

Frequently Asked Questions

What is the IUPAC name of [(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone?
The IUPAC name of [(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone (CID 59045181) is [(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone.
What is the SMILES notation for [(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone?
The canonical SMILES for [(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone is CC1(C)O[C@H](C(=O)C2CCCC2)[C@@H](C(=O)C2CCCC2)O1.
What is the InChIKey of [(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone?
The InChIKey is WWOAKJWNGSVLOU-HZPDHXFCSA-N. The full InChI is InChI=1S/C17H26O4/c1-17(2)20-15(13(18)11-7-3-4-8-11)16(21-17)14(19)12-9-5-6-10-12/h11-12,15-16H,3-10H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of [(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone?
[(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone has a molecular weight of 294.39 g/mol, XLogP of 3.03, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone is sourced from PubChem (CID 59045181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).