(5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

C11H18O5 — CID 157090851

IUPAC(5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)OC(C=O)[C@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C11H18O5/c1-10(2)13-6-8(15-10)9-7(5-12)14-11(3,4)16-9/h5,7-9H,6H2,1-4H3/t7?,8-,9-/m1/s1
InChIKeyVFGWJIQTAFPNQZ-CFCGPWAMSA-N
MW230.26 g/mol
LogP0.86
Rot. Bonds2

About (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde

(5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 157090851) has the molecular formula C11H18O5 and a molecular weight of 230.26 g/mol. Its IUPAC name is (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID157090851
Molecular FormulaC11H18O5
Molecular Weight230.26 g/mol
Exact Mass230.12
IUPAC Name(5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde
SMILESCC1(C)OC(C=O)[C@H]([C@H]2COC(C)(C)O2)O1
InChIInChI=1S/C11H18O5/c1-10(2)13-6-8(15-10)9-7(5-12)14-11(3,4)16-9/h5,7-9H,6H2,1-4H3/t7?,8-,9-/m1/s1
InChIKeyVFGWJIQTAFPNQZ-CFCGPWAMSA-N
XLogP0.86
TPSA53.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.26
LogP ≤ 50.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde (CID 157090851) is (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is CC1(C)OC(C=O)[C@H]([C@H]2COC(C)(C)O2)O1.
What is the InChIKey of (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is VFGWJIQTAFPNQZ-CFCGPWAMSA-N. The full InChI is InChI=1S/C11H18O5/c1-10(2)13-6-8(15-10)9-7(5-12)14-11(3,4)16-9/h5,7-9H,6H2,1-4H3/t7?,8-,9-/m1/s1.
What are the key properties of (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde?
(5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 230.26 g/mol, XLogP of 0.86, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 157090851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).