(3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal

C10H18O4 — CID 129035333

IUPAC(3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal
SMILESCC1(C)OC[C@H]([C@@H](O)C(C)(C)C=O)O1
InChIInChI=1S/C10H18O4/c1-9(2,6-11)8(12)7-5-13-10(3,4)14-7/h6-8,12H,5H2,1-4H3/t7-,8-/m1/s1
InChIKeyKIVTUGFUKDXZMR-HTQZYQBOSA-N
MW202.25 g/mol
LogP0.72
Rot. Bonds3

About (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal

(3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal (PubChem CID 129035333) has the molecular formula C10H18O4 and a molecular weight of 202.25 g/mol. Its IUPAC name is (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal.

Molecular Properties

Compound Name(3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal
PubChem CID129035333
Molecular FormulaC10H18O4
Molecular Weight202.25 g/mol
Exact Mass202.12
IUPAC Name(3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal
SMILESCC1(C)OC[C@H]([C@@H](O)C(C)(C)C=O)O1
InChIInChI=1S/C10H18O4/c1-9(2,6-11)8(12)7-5-13-10(3,4)14-7/h6-8,12H,5H2,1-4H3/t7-,8-/m1/s1
InChIKeyKIVTUGFUKDXZMR-HTQZYQBOSA-N
XLogP0.72
TPSA55.76 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500202.25
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal?
The IUPAC name of (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal (CID 129035333) is (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal.
What is the SMILES notation for (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal?
The canonical SMILES for (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal is CC1(C)OC[C@H]([C@@H](O)C(C)(C)C=O)O1.
What is the InChIKey of (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal?
The InChIKey is KIVTUGFUKDXZMR-HTQZYQBOSA-N. The full InChI is InChI=1S/C10H18O4/c1-9(2,6-11)8(12)7-5-13-10(3,4)14-7/h6-8,12H,5H2,1-4H3/t7-,8-/m1/s1.
What are the key properties of (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal?
(3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal has a molecular weight of 202.25 g/mol, XLogP of 0.72, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-3-hydroxy-2,2-dimethylpropanal is sourced from PubChem (CID 129035333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).