[(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone

C19H30O4 — CID 12990202

IUPAC[(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone
SMILESCC1(C)O[C@@H](C(=O)C2CCCCC2)[C@H](C(=O)C2CCCCC2)O1
InChIInChI=1S/C19H30O4/c1-19(2)22-17(15(20)13-9-5-3-6-10-13)18(23-19)16(21)14-11-7-4-8-12-14/h13-14,17-18H,3-12H2,1-2H3/t17-,18-/m0/s1
InChIKeyQRFKPVBHRKMOQU-ROUUACIJSA-N
MW322.45 g/mol
LogP3.81
Rot. Bonds4

About [(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone

[(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone (PubChem CID 12990202) has the molecular formula C19H30O4 and a molecular weight of 322.45 g/mol. Its IUPAC name is [(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone.

Molecular Properties

Compound Name[(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone
PubChem CID12990202
Molecular FormulaC19H30O4
Molecular Weight322.45 g/mol
Exact Mass322.21
IUPAC Name[(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone
SMILESCC1(C)O[C@@H](C(=O)C2CCCCC2)[C@H](C(=O)C2CCCCC2)O1
InChIInChI=1S/C19H30O4/c1-19(2)22-17(15(20)13-9-5-3-6-10-13)18(23-19)16(21)14-11-7-4-8-12-14/h13-14,17-18H,3-12H2,1-2H3/t17-,18-/m0/s1
InChIKeyQRFKPVBHRKMOQU-ROUUACIJSA-N
XLogP3.81
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 53.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze [(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone 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)-5-cyclohexyl-2,2-dimethyl-1,3-dioxolan-4-yl]ethanone
CID 134856789
(1,2-Dicyclohexyl-2-oxoethyl) ethyl carbonate
CID 10661638
1-[(4R,5R)-2,2-dimethyl-5-(2-methylpropanoyl)-1,3-dioxolan-4-yl]-2-methylpropan-1-one
CID 12990201
2-(2-Pentyl-1,3-dioxolan-2-yl)cyclohexan-1-one
CID 14064897
3-(3-Methyl-6-oxo-1,4-dioxaspiro[4.5]decan-7-yl)cyclohexane-1,2-dione
CID 21459459
cyclohexyl-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]methanone
CID 22843766
1-(2-Cyclohexyl-1,3-dioxolan-2-yl)propan-1-one
CID 57111795
[(4S,5S)-5-(cyclopentanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclopentylmethanone
CID 59045181
10-Cyclohexyl-3-methyl-1,4-dioxaspiro[4.5]decan-6-one
CID 67583014
Bicyclohexanedione monoethylene ketal
CID 86759325
(1,2-Dicyclohexyl-2-oxoethyl) methyl carbonate
CID 145730927

Frequently Asked Questions

What is the IUPAC name of [(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone?
The IUPAC name of [(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone (CID 12990202) is [(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone.
What is the SMILES notation for [(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone?
The canonical SMILES for [(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone is CC1(C)O[C@@H](C(=O)C2CCCCC2)[C@H](C(=O)C2CCCCC2)O1.
What is the InChIKey of [(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone?
The InChIKey is QRFKPVBHRKMOQU-ROUUACIJSA-N. The full InChI is InChI=1S/C19H30O4/c1-19(2)22-17(15(20)13-9-5-3-6-10-13)18(23-19)16(21)14-11-7-4-8-12-14/h13-14,17-18H,3-12H2,1-2H3/t17-,18-/m0/s1.
What are the key properties of [(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone?
[(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone has a molecular weight of 322.45 g/mol, XLogP of 3.81, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R,5R)-5-(cyclohexanecarbonyl)-2,2-dimethyl-1,3-dioxolan-4-yl]-cyclohexylmethanone is sourced from PubChem (CID 12990202), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).