(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione

C23H38O7 — CID 57111757

IUPAC(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione
SMILESCCCCCCCCCCCCC(=O)COC1C(=O)C(=O)O[C@@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C23H38O7/c1-4-5-6-7-8-9-10-11-12-13-14-17(24)15-27-21-19(25)22(26)29-20(21)18-16-28-23(2,3)30-18/h18,20-21H,4-16H2,1-3H3/t18-,20+,21?/m0/s1
InChIKeyZUTVTELRUOSNFC-PALXJHBUSA-N
MW426.55 g/mol
LogP3.90
Rot. Bonds15

About (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione

(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione (PubChem CID 57111757) has the molecular formula C23H38O7 and a molecular weight of 426.55 g/mol. Its IUPAC name is (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione.

Molecular Properties

Compound Name(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione
PubChem CID57111757
Molecular FormulaC23H38O7
Molecular Weight426.55 g/mol
Exact Mass426.26
IUPAC Name(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione
SMILESCCCCCCCCCCCCC(=O)COC1C(=O)C(=O)O[C@@H]1[C@@H]1COC(C)(C)O1
InChIInChI=1S/C23H38O7/c1-4-5-6-7-8-9-10-11-12-13-14-17(24)15-27-21-19(25)22(26)29-20(21)18-16-28-23(2,3)30-18/h18,20-21H,4-16H2,1-3H3/t18-,20+,21?/m0/s1
InChIKeyZUTVTELRUOSNFC-PALXJHBUSA-N
XLogP3.90
TPSA88.13 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds15
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.55
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione with MolForge

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Related Compounds

(1R,2S,6S,9R,10R)-4,4,9,12,12-pentamethyl-3,5,8,11,13-pentaoxatricyclo[8.3.0.02,6]tridecan-7-one
CID 11161599
(4R,4'S,5S,5'R)-dimethyl 2,2,2',2'-tetramethyl-[4,4'-bi(1,3-dioxolane)]-5,5'-dicarboxylate
CID 68548147
(R)-((R)-2,2-Dimethyl-1,3-dioxolan-4-yl)((4S,5S)-5-formyl-2,2-dimethyl-1,3-dioxolan-4-yl)methyl acetate
CID 10913678
(5R)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 10935035
(5R)-5-[(4S,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-one
CID 11130885
(1R,2S,6S,9S,10R)-4,4,9,12,12-pentamethyl-3,5,8,11,13-pentaoxatricyclo[8.3.0.02,6]tridecan-7-one
CID 11208013
methyl 4-[(4S,5R)-5-[[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]methyl]-2,2-dimethyl-1,3-dioxolan-4-yl]-4-oxobutanoate
CID 11659944
(1R,2R,6R,7R)-4,4-dimethyl-3,5,9,12-tetraoxatricyclo[5.4.1.02,6]dodecane-10,11-dione
CID 11790956
(3aR,6S,7aR)-2,2-dimethylspiro[4,7a-dihydro-3aH-[1,3]dioxolo[4,5-c]pyran-6,5'-oxolane]-2',7-dione
CID 12178480
(5S)-5-[(4R,5R)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-1,3-dioxolan-4-yl]oxolan-2-one
CID 21633354
Sodium (S)-4-hydroxy-2-oxo-4-((4R,4'R,5R)-2,2,2',2'-tetramethyl-[4,4'-bi(1,3-dioxolan)]-5-yl)butanoate
CID 44511271
Sodium (S)-4-((4R,5R)-5-((R)-acetoxy((R)-2,2-dimethyl-1,3-dioxolan-4-yl)methyl)-2,2-dimethyl-1,3-dioxolan-4-yl)-4-hydroxy-2-oxobutanoate
CID 44511278

Frequently Asked Questions

What is the IUPAC name of (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione?
The IUPAC name of (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione (CID 57111757) is (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione.
What is the SMILES notation for (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione?
The canonical SMILES for (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione is CCCCCCCCCCCCC(=O)COC1C(=O)C(=O)O[C@@H]1[C@@H]1COC(C)(C)O1.
What is the InChIKey of (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione?
The InChIKey is ZUTVTELRUOSNFC-PALXJHBUSA-N. The full InChI is InChI=1S/C23H38O7/c1-4-5-6-7-8-9-10-11-12-13-14-17(24)15-27-21-19(25)22(26)29-20(21)18-16-28-23(2,3)30-18/h18,20-21H,4-16H2,1-3H3/t18-,20+,21?/m0/s1.
What are the key properties of (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione?
(5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione has a molecular weight of 426.55 g/mol, XLogP of 3.90, 15 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(4S)-2,2-dimethyl-1,3-dioxolan-4-yl]-4-(2-oxotetradecoxy)oxolane-2,3-dione is sourced from PubChem (CID 57111757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).