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

C24H46O2 — CID 70930103

IUPAC(2R,4S)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-2,5-dimethyl-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]1O[C@H](C)OCC1C
InChIInChI=1S/C24H46O2/c1-11-16(3)20(7)17(4)12-15(2)13-18(5)21(8)22(9)24-19(6)14-25-23(10)26-24/h12,16-24H,11,13-14H2,1-10H3/b15-12-/t16-,17-,18-,19?,20-,21+,22-,23-,24-/m1/s1
InChIKeyBGUUQMJXXYQPOJ-JKWQIKHASA-N
MW366.63 g/mol
LogP6.95
Rot. Bonds9

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

(2R,4S)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-2,5-dimethyl-1,3-dioxane (PubChem CID 70930103) has the molecular formula C24H46O2 and a molecular weight of 366.63 g/mol. Its IUPAC name is (2R,4S)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-2,5-dimethyl-1,3-dioxane.

Molecular Properties

Compound Name(2R,4S)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-2,5-dimethyl-1,3-dioxane
PubChem CID70930103
Molecular FormulaC24H46O2
Molecular Weight366.63 g/mol
Exact Mass366.35
IUPAC Name(2R,4S)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-2,5-dimethyl-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]1O[C@H](C)OCC1C
InChIInChI=1S/C24H46O2/c1-11-16(3)20(7)17(4)12-15(2)13-18(5)21(8)22(9)24-19(6)14-25-23(10)26-24/h12,16-24H,11,13-14H2,1-10H3/b15-12-/t16-,17-,18-,19?,20-,21+,22-,23-,24-/m1/s1
InChIKeyBGUUQMJXXYQPOJ-JKWQIKHASA-N
XLogP6.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.63
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of (2R,4S)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-2,5-dimethyl-1,3-dioxane?
The IUPAC name of (2R,4S)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-2,5-dimethyl-1,3-dioxane (CID 70930103) is (2R,4S)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-2,5-dimethyl-1,3-dioxane.
What is the SMILES notation for (2R,4S)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-2,5-dimethyl-1,3-dioxane?
The canonical SMILES for (2R,4S)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-2,5-dimethyl-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]1O[C@H](C)OCC1C.
What is the InChIKey of (2R,4S)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-2,5-dimethyl-1,3-dioxane?
The InChIKey is BGUUQMJXXYQPOJ-JKWQIKHASA-N. The full InChI is InChI=1S/C24H46O2/c1-11-16(3)20(7)17(4)12-15(2)13-18(5)21(8)22(9)24-19(6)14-25-23(10)26-24/h12,16-24H,11,13-14H2,1-10H3/b15-12-/t16-,17-,18-,19?,20-,21+,22-,23-,24-/m1/s1.
What are the key properties of (2R,4S)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-2,5-dimethyl-1,3-dioxane?
(2R,4S)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-2,5-dimethyl-1,3-dioxane has a molecular weight of 366.63 g/mol, XLogP of 6.95, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,4S)-4-[(Z,2R,3S,4R,8S,9R,10R)-3,4,6,8,9,10-hexamethyldodec-6-en-2-yl]-2,5-dimethyl-1,3-dioxane is sourced from PubChem (CID 70930103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).