(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal

C14H26O5 — CID 134855122

IUPAC(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal
SMILESCC(C)O[C@@H]([C@H](C)C[C@@H]1COC(C)(C)O1)[C@@H](O)C=O
InChIInChI=1S/C14H26O5/c1-9(2)18-13(12(16)7-15)10(3)6-11-8-17-14(4,5)19-11/h7,9-13,16H,6,8H2,1-5H3/t10-,11-,12+,13+/m1/s1
InChIKeyFAPRZPDVORXKNA-NDBYEHHHSA-N
MW274.36 g/mol
LogP1.52
Rot. Bonds7

About (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal

(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal (PubChem CID 134855122) has the molecular formula C14H26O5 and a molecular weight of 274.36 g/mol. Its IUPAC name is (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal.

Molecular Properties

Compound Name(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal
PubChem CID134855122
Molecular FormulaC14H26O5
Molecular Weight274.36 g/mol
Exact Mass274.18
IUPAC Name(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal
SMILESCC(C)O[C@@H]([C@H](C)C[C@@H]1COC(C)(C)O1)[C@@H](O)C=O
InChIInChI=1S/C14H26O5/c1-9(2)18-13(12(16)7-15)10(3)6-11-8-17-14(4,5)19-11/h7,9-13,16H,6,8H2,1-5H3/t10-,11-,12+,13+/m1/s1
InChIKeyFAPRZPDVORXKNA-NDBYEHHHSA-N
XLogP1.52
TPSA64.99 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.36
LogP ≤ 51.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(3S,4R,5R,6R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3,4-dihydroxy-5-methyloxan-2-one
CID 10083252
(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoic acid
CID 134855154
(3S,4R,5S)-6-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-5-methyl-4-propan-2-yloxyhexan-2-one
CID 134855192
2-[(5S)-5-[(1R)-1-(2,2-dimethyl-1,3-dioxolan-4-yl)ethyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxyacetaldehyde
CID 134929863
methyl (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanoate
CID 134971265
(3R,4S,5R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-5-methyl-4-propan-2-yloxyhexan-2-one
CID 134971286
(3R,4S,5R)-4-butan-2-yloxy-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-5-methylhexan-2-one
CID 135012655
(3R,4S,5R)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-hydroxy-5-methyl-3-propan-2-yloxyhexan-2-one
CID 135036904
5-(2,2-Dimethyl-1,3-dioxolan-4-yl)-2,3,4,5-tetrahydroxypentanal
CID 58890568
5-[1-(2,2-Diethyl-1,3-dioxolan-4-yl)propan-2-yl]-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
CID 58940243
methyl (2R)-2-[(2S,3R)-3-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-5-methyloxolan-2-yl]-2-hydroxyacetate
CID 68069031
(2R)-2-[(4R,5R,6S)-6-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2,5-trimethyl-1,3-dioxan-4-yl]-2-hydroxyacetic acid
CID 68253000

Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal?
The IUPAC name of (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal (CID 134855122) is (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal.
What is the SMILES notation for (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal?
The canonical SMILES for (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal is CC(C)O[C@@H]([C@H](C)C[C@@H]1COC(C)(C)O1)[C@@H](O)C=O.
What is the InChIKey of (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal?
The InChIKey is FAPRZPDVORXKNA-NDBYEHHHSA-N. The full InChI is InChI=1S/C14H26O5/c1-9(2)18-13(12(16)7-15)10(3)6-11-8-17-14(4,5)19-11/h7,9-13,16H,6,8H2,1-5H3/t10-,11-,12+,13+/m1/s1.
What are the key properties of (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal?
(2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal has a molecular weight of 274.36 g/mol, XLogP of 1.52, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2-hydroxy-4-methyl-3-propan-2-yloxypentanal is sourced from PubChem (CID 134855122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).