[(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol

C15H30O2 — CID 44517874

IUPAC[(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol
SMILESCC(C)C[C@@H](C)C[C@@H](C)C[C@@H](C)[C@@H]1O[C@H]1CO
InChIInChI=1S/C15H30O2/c1-10(2)6-11(3)7-12(4)8-13(5)15-14(9-16)17-15/h10-16H,6-9H2,1-5H3/t11-,12-,13-,14+,15+/m1/s1
InChIKeyZOVNVEZQUDOXKG-ZSAUSMIDSA-N
MW242.40 g/mol
LogP3.48
Rot. Bonds8

About [(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol

[(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol (PubChem CID 44517874) has the molecular formula C15H30O2 and a molecular weight of 242.40 g/mol. Its IUPAC name is [(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol.

Molecular Properties

Compound Name[(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol
PubChem CID44517874
Molecular FormulaC15H30O2
Molecular Weight242.40 g/mol
Exact Mass242.22
IUPAC Name[(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol
SMILESCC(C)C[C@@H](C)C[C@@H](C)C[C@@H](C)[C@@H]1O[C@H]1CO
InChIInChI=1S/C15H30O2/c1-10(2)6-11(3)7-12(4)8-13(5)15-14(9-16)17-15/h10-16H,6-9H2,1-5H3/t11-,12-,13-,14+,15+/m1/s1
InChIKeyZOVNVEZQUDOXKG-ZSAUSMIDSA-N
XLogP3.48
TPSA32.76 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.40
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol?
The IUPAC name of [(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol (CID 44517874) is [(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol.
What is the SMILES notation for [(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol?
The canonical SMILES for [(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol is CC(C)C[C@@H](C)C[C@@H](C)C[C@@H](C)[C@@H]1O[C@H]1CO.
What is the InChIKey of [(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol?
The InChIKey is ZOVNVEZQUDOXKG-ZSAUSMIDSA-N. The full InChI is InChI=1S/C15H30O2/c1-10(2)6-11(3)7-12(4)8-13(5)15-14(9-16)17-15/h10-16H,6-9H2,1-5H3/t11-,12-,13-,14+,15+/m1/s1.
What are the key properties of [(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol?
[(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol has a molecular weight of 242.40 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-3-[(2R,4R,6R)-4,6,8-trimethylnonan-2-yl]oxiran-2-yl]methanol is sourced from PubChem (CID 44517874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).