(3S,4R)-2,4,6-trimethylnon-7-yn-3-ol;tungsten

C12H22OW — CID 59856239

IUPAC(3S,4R)-2,4,6-trimethylnon-7-yn-3-ol;tungsten
SMILESCC#CC(C)C[C@@H](C)[C@@H](O)C(C)C.[W]
InChIInChI=1S/C12H22O.W/c1-6-7-10(4)8-11(5)12(13)9(2)3;/h9-13H,8H2,1-5H3;/t10?,11-,12+;/m1./s1
InChIKeyPNNMPOPQOPJMEN-TZUZVIBKSA-N
MW366.15 g/mol
LogP2.69
Rot. Bonds4

About (3S,4R)-2,4,6-trimethylnon-7-yn-3-ol;tungsten

(3S,4R)-2,4,6-trimethylnon-7-yn-3-ol;tungsten (PubChem CID 59856239) has the molecular formula C12H22OW and a molecular weight of 366.15 g/mol. Its IUPAC name is (3S,4R)-2,4,6-trimethylnon-7-yn-3-ol;tungsten.

Molecular Properties

Compound Name(3S,4R)-2,4,6-trimethylnon-7-yn-3-ol;tungsten
PubChem CID59856239
Molecular FormulaC12H22OW
Molecular Weight366.15 g/mol
Exact Mass366.12
IUPAC Name(3S,4R)-2,4,6-trimethylnon-7-yn-3-ol;tungsten
SMILESCC#CC(C)C[C@@H](C)[C@@H](O)C(C)C.[W]
InChIInChI=1S/C12H22O.W/c1-6-7-10(4)8-11(5)12(13)9(2)3;/h9-13H,8H2,1-5H3;/t10?,11-,12+;/m1./s1
InChIKeyPNNMPOPQOPJMEN-TZUZVIBKSA-N
XLogP2.69
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.15
LogP ≤ 52.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

(3R,4R)-2,4-dimethylhept-5-yn-3-ol
CID 10986317
2-methylpent-3-yn-1-ol
CID 21426352
(2R,4S,5S)-2,4,6-trimethylheptane-1,5-diol
CID 10329806
(3S,4S,6R)-2,7-dimethyloctane-3,4,6-triol
CID 46849978
4-methylhepta-1,5-diyne
CID 91178010
6-iodo-4-methylhex-2-yne
CID 174796032
2,3-dimethylbutane;2,4-dimethylhexan-3-ol;2,3-dimethylpentane;ethane
CID 159479339
but-2-yne-1,1-diol;ethanol
CID 174725417
CID 175916855
CID 175916855
2,8-dimethyl-4-propan-2-ylnonane-3,5,6-triol
CID 58455255
2,4,6,8,10,12-hexamethyltridecan-7-ol
CID 170848745
(3R)-4-methylpentane-2,3-diol
CID 59911125

Frequently Asked Questions

What is the IUPAC name of (3S,4R)-2,4,6-trimethylnon-7-yn-3-ol;tungsten?
The IUPAC name of (3S,4R)-2,4,6-trimethylnon-7-yn-3-ol;tungsten (CID 59856239) is (3S,4R)-2,4,6-trimethylnon-7-yn-3-ol;tungsten.
What is the SMILES notation for (3S,4R)-2,4,6-trimethylnon-7-yn-3-ol;tungsten?
The canonical SMILES for (3S,4R)-2,4,6-trimethylnon-7-yn-3-ol;tungsten is CC#CC(C)C[C@@H](C)[C@@H](O)C(C)C.[W].
What is the InChIKey of (3S,4R)-2,4,6-trimethylnon-7-yn-3-ol;tungsten?
The InChIKey is PNNMPOPQOPJMEN-TZUZVIBKSA-N. The full InChI is InChI=1S/C12H22O.W/c1-6-7-10(4)8-11(5)12(13)9(2)3;/h9-13H,8H2,1-5H3;/t10?,11-,12+;/m1./s1.
What are the key properties of (3S,4R)-2,4,6-trimethylnon-7-yn-3-ol;tungsten?
(3S,4R)-2,4,6-trimethylnon-7-yn-3-ol;tungsten has a molecular weight of 366.15 g/mol, XLogP of 2.69, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-2,4,6-trimethylnon-7-yn-3-ol;tungsten is sourced from PubChem (CID 59856239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).