(2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol

C15H32O6 — CID 134878459

IUPAC(2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol
SMILESCOC(CO)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)CO
InChIInChI=1S/C15H32O6/c1-8(6-16)13(18)10(3)15(20)11(4)14(19)9(2)12(7-17)21-5/h8-20H,6-7H2,1-5H3/t8-,9+,10+,11-,12?,13-,14+,15+/m0/s1
InChIKeyGHUTURNYHGKJCN-CNHVMFJUSA-N
MW308.42 g/mol
LogP-0.39
Rot. Bonds10

About (2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol

(2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol (PubChem CID 134878459) has the molecular formula C15H32O6 and a molecular weight of 308.42 g/mol. Its IUPAC name is (2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol.

Molecular Properties

Compound Name(2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol
PubChem CID134878459
Molecular FormulaC15H32O6
Molecular Weight308.42 g/mol
Exact Mass308.22
IUPAC Name(2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol
SMILESCOC(CO)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)CO
InChIInChI=1S/C15H32O6/c1-8(6-16)13(18)10(3)15(20)11(4)14(19)9(2)12(7-17)21-5/h8-20H,6-7H2,1-5H3/t8-,9+,10+,11-,12?,13-,14+,15+/m0/s1
InChIKeyGHUTURNYHGKJCN-CNHVMFJUSA-N
XLogP-0.39
TPSA110.38 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.42
LogP ≤ 5-0.39
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Analyze (2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol with MolForge

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Related Compounds

(2S,3R)-2,4-dimethylhexane-1,3-diol
CID 130918298
(2S,3R,4S)-2,4-dimethylhexane-1,3-diol
CID 10931577
2,4,6-trimethylnonane-1,3,5,8-tetrol
CID 121009985
(2S,3R)-2,3-dimethoxybutane-1,4-diol
CID 119097957
3,5-dimethylhexane-1,2,4,6-tetrol
CID 14758507
(2R,3R)-4-methoxypentane-1,2,3,5-tetrol
CID 89370053
(2S,3S)-2,3-dimethoxybutan-1-ol
CID 130624159
2,3,4-trimethoxyhexane-1,5-diol
CID 71440340
(2R,3R,5S)-3,5-dimethoxy-2-methylhexane-1,6-diol
CID 10559649
(2S,3R,5S)-3,5-dimethoxy-2-methylhexane-1,6-diol
CID 10845422
4-methoxy-2-methylhexan-3-ol
CID 116710715
(2S,3S)-3-methylbutane-1,2,4-triol
CID 10877097

Frequently Asked Questions

What is the IUPAC name of (2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol?
The IUPAC name of (2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol (CID 134878459) is (2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol.
What is the SMILES notation for (2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol?
The canonical SMILES for (2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol is COC(CO)[C@@H](C)[C@@H](O)[C@H](C)[C@H](O)[C@H](C)[C@@H](O)[C@@H](C)CO.
What is the InChIKey of (2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol?
The InChIKey is GHUTURNYHGKJCN-CNHVMFJUSA-N. The full InChI is InChI=1S/C15H32O6/c1-8(6-16)13(18)10(3)15(20)11(4)14(19)9(2)12(7-17)21-5/h8-20H,6-7H2,1-5H3/t8-,9+,10+,11-,12?,13-,14+,15+/m0/s1.
What are the key properties of (2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol?
(2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol has a molecular weight of 308.42 g/mol, XLogP of -0.39, 10 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S,4R,5R,6R,7S,8S)-9-methoxy-2,4,6,8-tetramethyldecane-1,3,5,7,10-pentol is sourced from PubChem (CID 134878459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).