2-[(4R)-2,2-dimethyl-4-[(Z)-undec-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde

C18H32O3 — CID 56834707

IUPAC2-[(4R)-2,2-dimethyl-4-[(Z)-undec-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde
SMILESCCCCCCCC/C=C\C[C@@]1(CC=O)COC(C)(C)O1
InChIInChI=1S/C18H32O3/c1-4-5-6-7-8-9-10-11-12-13-18(14-15-19)16-20-17(2,3)21-18/h11-12,15H,4-10,13-14,16H2,1-3H3/b12-11-/t18-/m1/s1
InChIKeyRMJSNWVATWOKJC-YUIUBULTSA-N
MW296.45 g/mol
LogP4.79
Rot. Bonds11

About 2-[(4R)-2,2-dimethyl-4-[(Z)-undec-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde

2-[(4R)-2,2-dimethyl-4-[(Z)-undec-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde (PubChem CID 56834707) has the molecular formula C18H32O3 and a molecular weight of 296.45 g/mol. Its IUPAC name is 2-[(4R)-2,2-dimethyl-4-[(Z)-undec-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(4R)-2,2-dimethyl-4-[(Z)-undec-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde
PubChem CID56834707
Molecular FormulaC18H32O3
Molecular Weight296.45 g/mol
Exact Mass296.24
IUPAC Name2-[(4R)-2,2-dimethyl-4-[(Z)-undec-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde
SMILESCCCCCCCC/C=C\C[C@@]1(CC=O)COC(C)(C)O1
InChIInChI=1S/C18H32O3/c1-4-5-6-7-8-9-10-11-12-13-18(14-15-19)16-20-17(2,3)21-18/h11-12,15H,4-10,13-14,16H2,1-3H3/b12-11-/t18-/m1/s1
InChIKeyRMJSNWVATWOKJC-YUIUBULTSA-N
XLogP4.79
TPSA35.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds11
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.45
LogP ≤ 54.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,2-dimethyl-4-[(Z)-undec-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde?
The IUPAC name of 2-[(4R)-2,2-dimethyl-4-[(Z)-undec-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde (CID 56834707) is 2-[(4R)-2,2-dimethyl-4-[(Z)-undec-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde.
What is the SMILES notation for 2-[(4R)-2,2-dimethyl-4-[(Z)-undec-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde?
The canonical SMILES for 2-[(4R)-2,2-dimethyl-4-[(Z)-undec-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde is CCCCCCCC/C=C\C[C@@]1(CC=O)COC(C)(C)O1.
What is the InChIKey of 2-[(4R)-2,2-dimethyl-4-[(Z)-undec-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde?
The InChIKey is RMJSNWVATWOKJC-YUIUBULTSA-N. The full InChI is InChI=1S/C18H32O3/c1-4-5-6-7-8-9-10-11-12-13-18(14-15-19)16-20-17(2,3)21-18/h11-12,15H,4-10,13-14,16H2,1-3H3/b12-11-/t18-/m1/s1.
What are the key properties of 2-[(4R)-2,2-dimethyl-4-[(Z)-undec-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde?
2-[(4R)-2,2-dimethyl-4-[(Z)-undec-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde has a molecular weight of 296.45 g/mol, XLogP of 4.79, 11 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,2-dimethyl-4-[(Z)-undec-2-enyl]-1,3-dioxolan-4-yl]acetaldehyde is sourced from PubChem (CID 56834707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).