2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal

C14H24O4 — CID 154708199

IUPAC2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal
SMILESCC1(C)OC[C@@H]([C@]2(C)CC[C@@H](C(C)(C)C=O)O2)O1
InChIInChI=1S/C14H24O4/c1-12(2,9-15)10-6-7-14(5,18-10)11-8-16-13(3,4)17-11/h9-11H,6-8H2,1-5H3/t10-,11-,14-/m0/s1
InChIKeyAGDVTDOHFCRILG-MJVIPROJSA-N
MW256.34 g/mol
LogP2.30
Rot. Bonds3

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

2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal (PubChem CID 154708199) has the molecular formula C14H24O4 and a molecular weight of 256.34 g/mol. Its IUPAC name is 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal.

Molecular Properties

Compound Name2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal
PubChem CID154708199
Molecular FormulaC14H24O4
Molecular Weight256.34 g/mol
Exact Mass256.17
IUPAC Name2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal
SMILESCC1(C)OC[C@@H]([C@]2(C)CC[C@@H](C(C)(C)C=O)O2)O1
InChIInChI=1S/C14H24O4/c1-12(2,9-15)10-6-7-14(5,18-10)11-8-16-13(3,4)17-11/h9-11H,6-8H2,1-5H3/t10-,11-,14-/m0/s1
InChIKeyAGDVTDOHFCRILG-MJVIPROJSA-N
XLogP2.30
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.34
LogP ≤ 52.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropan-1-ol
CID 154708000
(2S)-2-[(2R,5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 10881524
(4S)-2,2-dimethyl-4-[(2R,5R)-2-methyl-5-[(2R)-2-methyloxiran-2-yl]oxolan-2-yl]-1,3-dioxolane
CID 11368493
2-[(9S)-6,10-dioxaspiro[4.5]decan-9-yl]-2-methylpropanal
CID 57217983
cis-(1R,2R)-2-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-1-fluoro-2-hydroxycyclopropane-1-carbaldehyde
CID 118911984
(2S)-2-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 163001933
3-(2,2-dimethyl-1,3-dioxolan-4-yl)prop-2-enal
CID 72833007
2,2-bis(2,2-dimethyl-1,3-dioxolan-4-yl)propanoic acid
CID 69412912
[(2R)-1-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-fluoro-2-methyl-3-oxopropyl] hydrogen sulfate
CID 89090352
2-bromo-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-3-methoxy-2-methylpropanal
CID 87070192
(1R,4R,6S)-4-tert-butyl-1-methyl-7-oxabicyclo[4.1.0]heptane
CID 165344211
(2S)-2-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-[(2R,5S)-5-(2-hydroxypropan-2-yl)-2-methyloxolan-2-yl]-2-methyloxolan-2-yl]oxolan-2-yl]-5-methyloxolan-2-yl]-6-methylhept-5-en-2-ol
CID 42599666

Frequently Asked Questions

What is the IUPAC name of 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal?
The IUPAC name of 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal (CID 154708199) is 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal.
What is the SMILES notation for 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal?
The canonical SMILES for 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal is CC1(C)OC[C@@H]([C@]2(C)CC[C@@H](C(C)(C)C=O)O2)O1.
What is the InChIKey of 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal?
The InChIKey is AGDVTDOHFCRILG-MJVIPROJSA-N. The full InChI is InChI=1S/C14H24O4/c1-12(2,9-15)10-6-7-14(5,18-10)11-8-16-13(3,4)17-11/h9-11H,6-8H2,1-5H3/t10-,11-,14-/m0/s1.
What are the key properties of 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal?
2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal has a molecular weight of 256.34 g/mol, XLogP of 2.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2S,5S)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-methylpropanal is sourced from PubChem (CID 154708199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).