(3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol

C15H28O2 — CID 126723997

IUPAC(3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol
SMILESC#C[C@H](C)[C@@H](O)[C@H](C)[C@@H](C)[C@H](C)[C@H](CC)OC
InChIInChI=1S/C15H28O2/c1-8-10(3)15(16)13(6)11(4)12(5)14(9-2)17-7/h1,10-16H,9H2,2-7H3/t10-,11-,12-,13+,14-,15+/m0/s1
InChIKeyVZEZTCKGLICFPJ-CTTWBBHYSA-N
MW240.39 g/mol
LogP2.95
Rot. Bonds7

About (3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol

(3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol (PubChem CID 126723997) has the molecular formula C15H28O2 and a molecular weight of 240.39 g/mol. Its IUPAC name is (3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol.

Molecular Properties

Compound Name(3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol
PubChem CID126723997
Molecular FormulaC15H28O2
Molecular Weight240.39 g/mol
Exact Mass240.21
IUPAC Name(3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol
SMILESC#C[C@H](C)[C@@H](O)[C@H](C)[C@@H](C)[C@H](C)[C@H](CC)OC
InChIInChI=1S/C15H28O2/c1-8-10(3)15(16)13(6)11(4)12(5)14(9-2)17-7/h1,10-16H,9H2,2-7H3/t10-,11-,12-,13+,14-,15+/m0/s1
InChIKeyVZEZTCKGLICFPJ-CTTWBBHYSA-N
XLogP2.95
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.39
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol with MolForge

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Related Compounds

(1R,2R)-1-[(2S,3S)-3-[(2S,3R)-3-methoxypentan-2-yl]oxiran-2-yl]-2-methylbut-3-yn-1-ol
CID 172717117
4-methoxy-2-methylhexan-3-ol
CID 116710715
(3S,4R,5S,6R)-3,4,5,6-tetramethoxyoctane
CID 59693568
4-methylhex-1-yn-3-ol
CID 64914374
3-(2-hydroxypentan-3-yloxy)pentan-2-ol
CID 138539314
8-methoxy-7-methyldec-1-yn-4-one
CID 174356167
(3S)-1,2,3-trimethoxypentane
CID 167509153
3-methoxyheptan-4-ol
CID 54045994
(2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol
CID 134878459
4-methoxy-2-methylheptan-3-ol
CID 116711593
5-methoxy-N-methylhept-1-yn-4-amine
CID 116715372
[(3R,8S,9R)-9-methoxy-8-methylundec-1-yn-3-yl]oxy-tri(propan-2-yl)silane
CID 24879566

Frequently Asked Questions

What is the IUPAC name of (3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol?
The IUPAC name of (3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol (CID 126723997) is (3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol.
What is the SMILES notation for (3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol?
The canonical SMILES for (3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol is C#C[C@H](C)[C@@H](O)[C@H](C)[C@@H](C)[C@H](C)[C@H](CC)OC.
What is the InChIKey of (3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol?
The InChIKey is VZEZTCKGLICFPJ-CTTWBBHYSA-N. The full InChI is InChI=1S/C15H28O2/c1-8-10(3)15(16)13(6)11(4)12(5)14(9-2)17-7/h1,10-16H,9H2,2-7H3/t10-,11-,12-,13+,14-,15+/m0/s1.
What are the key properties of (3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol?
(3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol has a molecular weight of 240.39 g/mol, XLogP of 2.95, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4S,5R,6R,7S,8S)-8-methoxy-3,5,6,7-tetramethyldec-1-yn-4-ol is sourced from PubChem (CID 126723997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).