(4R,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde

C10H16O3 — CID 86657946

IUPAC(4R,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
SMILESC=C[C@H]1OC(CC)(CC)O[C@H]1C=O
InChIInChI=1S/C10H16O3/c1-4-8-9(7-11)13-10(5-2,6-3)12-8/h4,7-9H,1,5-6H2,2-3H3/t8-,9+/m1/s1
InChIKeyHYDKBTNHACKWLR-BDAKNGLRSA-N
MW184.23 g/mol
LogP1.67
Rot. Bonds4

About (4R,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde

(4R,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde (PubChem CID 86657946) has the molecular formula C10H16O3 and a molecular weight of 184.23 g/mol. Its IUPAC name is (4R,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde.

Molecular Properties

Compound Name(4R,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
PubChem CID86657946
Molecular FormulaC10H16O3
Molecular Weight184.23 g/mol
Exact Mass184.11
IUPAC Name(4R,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde
SMILESC=C[C@H]1OC(CC)(CC)O[C@H]1C=O
InChIInChI=1S/C10H16O3/c1-4-8-9(7-11)13-10(5-2,6-3)12-8/h4,7-9H,1,5-6H2,2-3H3/t8-,9+/m1/s1
InChIKeyHYDKBTNHACKWLR-BDAKNGLRSA-N
XLogP1.67
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.23
LogP ≤ 51.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4R,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde?
The IUPAC name of (4R,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde (CID 86657946) is (4R,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde.
What is the SMILES notation for (4R,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde?
The canonical SMILES for (4R,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde is C=C[C@H]1OC(CC)(CC)O[C@H]1C=O.
What is the InChIKey of (4R,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde?
The InChIKey is HYDKBTNHACKWLR-BDAKNGLRSA-N. The full InChI is InChI=1S/C10H16O3/c1-4-8-9(7-11)13-10(5-2,6-3)12-8/h4,7-9H,1,5-6H2,2-3H3/t8-,9+/m1/s1.
What are the key properties of (4R,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde?
(4R,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde has a molecular weight of 184.23 g/mol, XLogP of 1.67, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-5-ethenyl-2,2-diethyl-1,3-dioxolane-4-carbaldehyde is sourced from PubChem (CID 86657946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).