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

C23H44O2 — CID 70930093

IUPAC(2R,4S,5R)-2,5-dimethyl-4-[(Z,2R,4S,8S,9R,10R)-4,6,8,9,10-pentamethyldodec-6-en-2-yl]-1,3-dioxane
SMILESCC[C@@H](C)[C@@H](C)[C@H](C)/C=C(/C)C[C@@H](C)C[C@@H](C)[C@@H]1O[C@H](C)OC[C@H]1C
InChIInChI=1S/C23H44O2/c1-10-17(4)21(8)18(5)12-15(2)11-16(3)13-19(6)23-20(7)14-24-22(9)25-23/h12,16-23H,10-11,13-14H2,1-9H3/b15-12-/t16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
InChIKeyUHDWJTKJQQEXLE-QDVNFEDQSA-N
MW352.60 g/mol
LogP6.70
Rot. Bonds9

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

(2R,4S,5R)-2,5-dimethyl-4-[(Z,2R,4S,8S,9R,10R)-4,6,8,9,10-pentamethyldodec-6-en-2-yl]-1,3-dioxane (PubChem CID 70930093) has the molecular formula C23H44O2 and a molecular weight of 352.60 g/mol. Its IUPAC name is (2R,4S,5R)-2,5-dimethyl-4-[(Z,2R,4S,8S,9R,10R)-4,6,8,9,10-pentamethyldodec-6-en-2-yl]-1,3-dioxane.

Molecular Properties

Compound Name(2R,4S,5R)-2,5-dimethyl-4-[(Z,2R,4S,8S,9R,10R)-4,6,8,9,10-pentamethyldodec-6-en-2-yl]-1,3-dioxane
PubChem CID70930093
Molecular FormulaC23H44O2
Molecular Weight352.60 g/mol
Exact Mass352.33
IUPAC Name(2R,4S,5R)-2,5-dimethyl-4-[(Z,2R,4S,8S,9R,10R)-4,6,8,9,10-pentamethyldodec-6-en-2-yl]-1,3-dioxane
SMILESCC[C@@H](C)[C@@H](C)[C@H](C)/C=C(/C)C[C@@H](C)C[C@@H](C)[C@@H]1O[C@H](C)OC[C@H]1C
InChIInChI=1S/C23H44O2/c1-10-17(4)21(8)18(5)12-15(2)11-16(3)13-19(6)23-20(7)14-24-22(9)25-23/h12,16-23H,10-11,13-14H2,1-9H3/b15-12-/t16-,17-,18-,19-,20-,21-,22-,23+/m1/s1
InChIKeyUHDWJTKJQQEXLE-QDVNFEDQSA-N
XLogP6.70
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 ≤ 56.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S,5R)-2,5-dimethyl-4-[(Z,2R,4S,8S,9R,10R)-4,6,8,9,10-pentamethyldodec-6-en-2-yl]-1,3-dioxane?
The IUPAC name of (2R,4S,5R)-2,5-dimethyl-4-[(Z,2R,4S,8S,9R,10R)-4,6,8,9,10-pentamethyldodec-6-en-2-yl]-1,3-dioxane (CID 70930093) is (2R,4S,5R)-2,5-dimethyl-4-[(Z,2R,4S,8S,9R,10R)-4,6,8,9,10-pentamethyldodec-6-en-2-yl]-1,3-dioxane.
What is the SMILES notation for (2R,4S,5R)-2,5-dimethyl-4-[(Z,2R,4S,8S,9R,10R)-4,6,8,9,10-pentamethyldodec-6-en-2-yl]-1,3-dioxane?
The canonical SMILES for (2R,4S,5R)-2,5-dimethyl-4-[(Z,2R,4S,8S,9R,10R)-4,6,8,9,10-pentamethyldodec-6-en-2-yl]-1,3-dioxane is CC[C@@H](C)[C@@H](C)[C@H](C)/C=C(/C)C[C@@H](C)C[C@@H](C)[C@@H]1O[C@H](C)OC[C@H]1C.
What is the InChIKey of (2R,4S,5R)-2,5-dimethyl-4-[(Z,2R,4S,8S,9R,10R)-4,6,8,9,10-pentamethyldodec-6-en-2-yl]-1,3-dioxane?
The InChIKey is UHDWJTKJQQEXLE-QDVNFEDQSA-N. The full InChI is InChI=1S/C23H44O2/c1-10-17(4)21(8)18(5)12-15(2)11-16(3)13-19(6)23-20(7)14-24-22(9)25-23/h12,16-23H,10-11,13-14H2,1-9H3/b15-12-/t16-,17-,18-,19-,20-,21-,22-,23+/m1/s1.
What are the key properties of (2R,4S,5R)-2,5-dimethyl-4-[(Z,2R,4S,8S,9R,10R)-4,6,8,9,10-pentamethyldodec-6-en-2-yl]-1,3-dioxane?
(2R,4S,5R)-2,5-dimethyl-4-[(Z,2R,4S,8S,9R,10R)-4,6,8,9,10-pentamethyldodec-6-en-2-yl]-1,3-dioxane has a molecular weight of 352.60 g/mol, XLogP of 6.70, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S,5R)-2,5-dimethyl-4-[(Z,2R,4S,8S,9R,10R)-4,6,8,9,10-pentamethyldodec-6-en-2-yl]-1,3-dioxane is sourced from PubChem (CID 70930093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).