(2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol

C17H36O3 — CID 88870745

IUPAC(2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol
SMILESCC(C)[C@@H](C)[C@H](O)C[C@H](C)[C@@H](C)C[C@@H](O)[C@@H](C)[C@@H](C)O
InChIInChI=1S/C17H36O3/c1-10(2)13(5)16(19)8-11(3)12(4)9-17(20)14(6)15(7)18/h10-20H,8-9H2,1-7H3/t11-,12-,13+,14-,15+,16+,17+/m0/s1
InChIKeyUKWKZOYGAGGWFJ-NZLQQEQQSA-N
MW288.47 g/mol
LogP3.07
Rot. Bonds9

About (2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol

(2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol (PubChem CID 88870745) has the molecular formula C17H36O3 and a molecular weight of 288.47 g/mol. Its IUPAC name is (2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol.

Molecular Properties

Compound Name(2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol
PubChem CID88870745
Molecular FormulaC17H36O3
Molecular Weight288.47 g/mol
Exact Mass288.27
IUPAC Name(2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol
SMILESCC(C)[C@@H](C)[C@H](O)C[C@H](C)[C@@H](C)C[C@@H](O)[C@@H](C)[C@@H](C)O
InChIInChI=1S/C17H36O3/c1-10(2)13(5)16(19)8-11(3)12(4)9-17(20)14(6)15(7)18/h10-20H,8-9H2,1-7H3/t11-,12-,13+,14-,15+,16+,17+/m0/s1
InChIKeyUKWKZOYGAGGWFJ-NZLQQEQQSA-N
XLogP3.07
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.47
LogP ≤ 53.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Analyze (2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol?
The IUPAC name of (2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol (CID 88870745) is (2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol.
What is the SMILES notation for (2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol?
The canonical SMILES for (2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol is CC(C)[C@@H](C)[C@H](O)C[C@H](C)[C@@H](C)C[C@@H](O)[C@@H](C)[C@@H](C)O.
What is the InChIKey of (2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol?
The InChIKey is UKWKZOYGAGGWFJ-NZLQQEQQSA-N. The full InChI is InChI=1S/C17H36O3/c1-10(2)13(5)16(19)8-11(3)12(4)9-17(20)14(6)15(7)18/h10-20H,8-9H2,1-7H3/t11-,12-,13+,14-,15+,16+,17+/m0/s1.
What are the key properties of (2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol?
(2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol has a molecular weight of 288.47 g/mol, XLogP of 3.07, 9 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3S,4R,6S,7S,9R,10R)-3,6,7,10,11-pentamethyldodecane-2,4,9-triol is sourced from PubChem (CID 88870745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).