(2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one

C21H38O5 — CID 134878955

IUPAC(2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one
SMILESC[C@@H]1COC(C)(C)OC1[C@@H](C)CCC(=O)CC[C@@H](C)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C21H38O5/c1-14(18-13-24-20(4,5)25-18)8-10-17(22)11-9-15(2)19-16(3)12-23-21(6,7)26-19/h14-16,18-19H,8-13H2,1-7H3/t14-,15+,16-,18+,19?/m1/s1
InChIKeyXWSPCODJJAXWNY-USNPGCBWSA-N
MW370.53 g/mol
LogP4.33
Rot. Bonds8

About (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one

(2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one (PubChem CID 134878955) has the molecular formula C21H38O5 and a molecular weight of 370.53 g/mol. Its IUPAC name is (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one.

Molecular Properties

Compound Name(2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one
PubChem CID134878955
Molecular FormulaC21H38O5
Molecular Weight370.53 g/mol
Exact Mass370.27
IUPAC Name(2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one
SMILESC[C@@H]1COC(C)(C)OC1[C@@H](C)CCC(=O)CC[C@@H](C)[C@@H]1COC(C)(C)O1
InChIInChI=1S/C21H38O5/c1-14(18-13-24-20(4,5)25-18)8-10-17(22)11-9-15(2)19-16(3)12-23-21(6,7)26-19/h14-16,18-19H,8-13H2,1-7H3/t14-,15+,16-,18+,19?/m1/s1
InChIKeyXWSPCODJJAXWNY-USNPGCBWSA-N
XLogP4.33
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.53
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one with MolForge

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Related Compounds

8-(2-Methyl-1,3-dioxolan-2-yl)-7-tetradecanone
CID 13600696
(4S,5R,6S)-6-(2-ethyl-1,3-dioxolan-2-yl)-5-(methoxymethoxy)-4-methylheptan-3-one
CID 102211461
3-(2-(2-Methyl-1,3-dioxolan-2-yl)ethyl)octan-2-one
CID 25062353
(5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one
CID 16120045
[(6R,9R,10S)-6,10-dimethyl-9-[(2S)-3-oxopentan-2-yl]-1,4,8-trioxaspiro[4.5]decan-7-yl] 2,2-dimethylpropanoate
CID 46703151
(2S)-2-[(4S,5S,6S)-2,2,5-trimethyl-6-propan-2-yl-1,3-dioxan-4-yl]pentan-3-one
CID 51051253
(6R)-6-butyl-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]oxan-2-one
CID 102392244
1-(16-Ethyloc-tadecanoyl)-2,3-isopropylidene glycerol
CID 129724993
Methyl 3-acetoxy-10,11-(isopropylidenedioxy)-2,10-dimethyl-7-oxotridecanoate
CID 129803701
Ethyl 10,11-(isopropylidenedioxy)-10-methyl-7-oxotridecanoate
CID 129803951
Methyl 3-acetoxy-10,11-(isopropylidenedioxy)-2,4,6,10-tetramethyl-7-oxo-8-tridecynoate
CID 129803960
(5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxan-2-one
CID 134855131

Frequently Asked Questions

What is the IUPAC name of (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one?
The IUPAC name of (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one (CID 134878955) is (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one.
What is the SMILES notation for (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one?
The canonical SMILES for (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one is C[C@@H]1COC(C)(C)OC1[C@@H](C)CCC(=O)CC[C@@H](C)[C@@H]1COC(C)(C)O1.
What is the InChIKey of (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one?
The InChIKey is XWSPCODJJAXWNY-USNPGCBWSA-N. The full InChI is InChI=1S/C21H38O5/c1-14(18-13-24-20(4,5)25-18)8-10-17(22)11-9-15(2)19-16(3)12-23-21(6,7)26-19/h14-16,18-19H,8-13H2,1-7H3/t14-,15+,16-,18+,19?/m1/s1.
What are the key properties of (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one?
(2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one has a molecular weight of 370.53 g/mol, XLogP of 4.33, 8 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,8S)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-8-[(5R)-2,2,5-trimethyl-1,3-dioxan-4-yl]nonan-5-one is sourced from PubChem (CID 134878955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).