2-[(2R,6R)-2-[(E,2S)-10-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde

C24H38O4 — CID 143024812

IUPAC2-[(2R,6R)-2-[(E,2S)-10-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
SMILESC=C(CC/C=C/CCC1COC(C)(C)O1)C[C@H](C)C[C@@H]1CC=C[C@@H](CC=O)O1
InChIInChI=1S/C24H38O4/c1-19(10-7-5-6-8-11-23-18-26-24(3,4)28-23)16-20(2)17-22-13-9-12-21(27-22)14-15-25/h5-6,9,12,15,20-23H,1,7-8,10-11,13-14,16-18H2,2-4H3/b6-5+/t20-,21-,22-,23?/m0/s1
InChIKeyWZOCLMRJACNQBM-PHQJMURTSA-N
MW390.56 g/mol
LogP5.53
Rot. Bonds12

About 2-[(2R,6R)-2-[(E,2S)-10-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde

2-[(2R,6R)-2-[(E,2S)-10-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde (PubChem CID 143024812) has the molecular formula C24H38O4 and a molecular weight of 390.56 g/mol. Its IUPAC name is 2-[(2R,6R)-2-[(E,2S)-10-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde.

Molecular Properties

Compound Name2-[(2R,6R)-2-[(E,2S)-10-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
PubChem CID143024812
Molecular FormulaC24H38O4
Molecular Weight390.56 g/mol
Exact Mass390.28
IUPAC Name2-[(2R,6R)-2-[(E,2S)-10-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde
SMILESC=C(CC/C=C/CCC1COC(C)(C)O1)C[C@H](C)C[C@@H]1CC=C[C@@H](CC=O)O1
InChIInChI=1S/C24H38O4/c1-19(10-7-5-6-8-11-23-18-26-24(3,4)28-23)16-20(2)17-22-13-9-12-21(27-22)14-15-25/h5-6,9,12,15,20-23H,1,7-8,10-11,13-14,16-18H2,2-4H3/b6-5+/t20-,21-,22-,23?/m0/s1
InChIKeyWZOCLMRJACNQBM-PHQJMURTSA-N
XLogP5.53
TPSA44.76 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.56
LogP ≤ 55.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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 2-[(2R,6R)-2-[(E,2S)-10-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
The IUPAC name of 2-[(2R,6R)-2-[(E,2S)-10-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde (CID 143024812) is 2-[(2R,6R)-2-[(E,2S)-10-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde.
What is the SMILES notation for 2-[(2R,6R)-2-[(E,2S)-10-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
The canonical SMILES for 2-[(2R,6R)-2-[(E,2S)-10-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde is C=C(CC/C=C/CCC1COC(C)(C)O1)C[C@H](C)C[C@@H]1CC=C[C@@H](CC=O)O1.
What is the InChIKey of 2-[(2R,6R)-2-[(E,2S)-10-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
The InChIKey is WZOCLMRJACNQBM-PHQJMURTSA-N. The full InChI is InChI=1S/C24H38O4/c1-19(10-7-5-6-8-11-23-18-26-24(3,4)28-23)16-20(2)17-22-13-9-12-21(27-22)14-15-25/h5-6,9,12,15,20-23H,1,7-8,10-11,13-14,16-18H2,2-4H3/b6-5+/t20-,21-,22-,23?/m0/s1.
What are the key properties of 2-[(2R,6R)-2-[(E,2S)-10-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde?
2-[(2R,6R)-2-[(E,2S)-10-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde has a molecular weight of 390.56 g/mol, XLogP of 5.53, 12 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2R,6R)-2-[(E,2S)-10-(2,2-dimethyl-1,3-dioxolan-4-yl)-2-methyl-4-methylidenedec-7-enyl]-3,6-dihydro-2H-pyran-6-yl]acetaldehyde is sourced from PubChem (CID 143024812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).