(4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane

C23H44O2 — CID 71099382

IUPAC(4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane
SMILESCC[C@@H](C)[C@@H](C)[C@H](C)/C=C(/C)C[C@@H](C)[C@H](C)[C@@H](C)[C@@H]1OCOC[C@H]1C
InChIInChI=1S/C23H44O2/c1-10-16(3)20(7)17(4)11-15(2)12-18(5)21(8)22(9)23-19(6)13-24-14-25-23/h11,16-23H,10,12-14H2,1-9H3/b15-11-/t16-,17-,18-,19-,20-,21+,22-,23-/m1/s1
InChIKeyRIVMEUPWVGPQTF-QFVQUKGZSA-N
MW352.60 g/mol
LogP6.56
Rot. Bonds9

About (4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane

(4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane (PubChem CID 71099382) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is (4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane.

Molecular Properties

Compound Name(4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane
PubChem CID71099382
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Name(4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane
SMILESCC[C@@H](C)[C@@H](C)[C@H](C)/C=C(/C)C[C@@H](C)[C@H](C)[C@@H](C)[C@@H]1OCOC[C@H]1C
InChIInChI=1S/C23H44O2/c1-10-16(3)20(7)17(4)11-15(2)12-18(5)21(8)22(9)23-19(6)13-24-14-25-23/h11,16-23H,10,12-14H2,1-9H3/b15-11-/t16-,17-,18-,19-,20-,21+,22-,23-/m1/s1
InChIKeyRIVMEUPWVGPQTF-QFVQUKGZSA-N
XLogP6.56
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500352.60
LogP ≤ 56.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane?
The IUPAC name of (4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane (CID 71099382) is (4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane.
What is the SMILES notation for (4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane?
The canonical SMILES for (4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane is CC[C@@H](C)[C@@H](C)[C@H](C)/C=C(/C)C[C@@H](C)[C@H](C)[C@@H](C)[C@@H]1OCOC[C@H]1C.
What is the InChIKey of (4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane?
The InChIKey is RIVMEUPWVGPQTF-QFVQUKGZSA-N. The full InChI is InChI=1S/C23H44O2/c1-10-16(3)20(7)17(4)11-15(2)12-18(5)21(8)22(9)23-19(6)13-24-14-25-23/h11,16-23H,10,12-14H2,1-9H3/b15-11-/t16-,17-,18-,19-,20-,21+,22-,23-/m1/s1.
What are the key properties of (4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane?
(4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane has a molecular weight of 352.60 g/mol, XLogP of 6.56, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5R)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-5-methyl-1,3-dioxane is sourced from PubChem (CID 71099382), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).