(2S,4R,6S)-2,4,6,8-tetramethylnon-8-en-1-ol

C13H26O — CID 24851560

IUPAC(2S,4R,6S)-2,4,6,8-tetramethylnon-8-en-1-ol
SMILESC=C(C)C[C@@H](C)C[C@@H](C)C[C@H](C)CO
InChIInChI=1S/C13H26O/c1-10(2)6-11(3)7-12(4)8-13(5)9-14/h11-14H,1,6-9H2,2-5H3/t11-,12-,13+/m1/s1
InChIKeyAQRJHMZNBUTGNE-UPJWGTAASA-N
MW198.35 g/mol
LogP3.63
Rot. Bonds7

About (2S,4R,6S)-2,4,6,8-tetramethylnon-8-en-1-ol

(2S,4R,6S)-2,4,6,8-tetramethylnon-8-en-1-ol (PubChem CID 24851560) has the molecular formula C13H26O and a molecular weight of 198.35 g/mol. Its IUPAC name is (2S,4R,6S)-2,4,6,8-tetramethylnon-8-en-1-ol.

Molecular Properties

Compound Name(2S,4R,6S)-2,4,6,8-tetramethylnon-8-en-1-ol
PubChem CID24851560
Molecular FormulaC13H26O
Molecular Weight198.35 g/mol
Exact Mass198.20
IUPAC Name(2S,4R,6S)-2,4,6,8-tetramethylnon-8-en-1-ol
SMILESC=C(C)C[C@@H](C)C[C@@H](C)C[C@H](C)CO
InChIInChI=1S/C13H26O/c1-10(2)6-11(3)7-12(4)8-13(5)9-14/h11-14H,1,6-9H2,2-5H3/t11-,12-,13+/m1/s1
InChIKeyAQRJHMZNBUTGNE-UPJWGTAASA-N
XLogP3.63
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.35
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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 (2S,4R,6S)-2,4,6,8-tetramethylnon-8-en-1-ol?
The IUPAC name of (2S,4R,6S)-2,4,6,8-tetramethylnon-8-en-1-ol (CID 24851560) is (2S,4R,6S)-2,4,6,8-tetramethylnon-8-en-1-ol.
What is the SMILES notation for (2S,4R,6S)-2,4,6,8-tetramethylnon-8-en-1-ol?
The canonical SMILES for (2S,4R,6S)-2,4,6,8-tetramethylnon-8-en-1-ol is C=C(C)C[C@@H](C)C[C@@H](C)C[C@H](C)CO.
What is the InChIKey of (2S,4R,6S)-2,4,6,8-tetramethylnon-8-en-1-ol?
The InChIKey is AQRJHMZNBUTGNE-UPJWGTAASA-N. The full InChI is InChI=1S/C13H26O/c1-10(2)6-11(3)7-12(4)8-13(5)9-14/h11-14H,1,6-9H2,2-5H3/t11-,12-,13+/m1/s1.
What are the key properties of (2S,4R,6S)-2,4,6,8-tetramethylnon-8-en-1-ol?
(2S,4R,6S)-2,4,6,8-tetramethylnon-8-en-1-ol has a molecular weight of 198.35 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,4R,6S)-2,4,6,8-tetramethylnon-8-en-1-ol is sourced from PubChem (CID 24851560), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).