[(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate

C17H34O4 — CID 10566302

IUPAC[(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@H](C(C)C)[C@@H](C)[C@H](O)[C@H](C)[C@H](O)C(C)C
InChIInChI=1S/C17H34O4/c1-9(2)14(18)12(7)15(19)13(8)16(10(3)4)21-17(20)11(5)6/h9-16,18-19H,1-8H3/t12-,13+,14-,15-,16-/m1/s1
InChIKeyQSVHGWMEZPGRLQ-YIDVYQOGSA-N
MW302.46 g/mol
LogP2.86
Rot. Bonds8

About [(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate

[(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate (PubChem CID 10566302) has the molecular formula C17H34O4 and a molecular weight of 302.46 g/mol. Its IUPAC name is [(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate.

Molecular Properties

Compound Name[(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate
PubChem CID10566302
Molecular FormulaC17H34O4
Molecular Weight302.46 g/mol
Exact Mass302.25
IUPAC Name[(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate
SMILESCC(C)C(=O)O[C@H](C(C)C)[C@@H](C)[C@H](O)[C@H](C)[C@H](O)C(C)C
InChIInChI=1S/C17H34O4/c1-9(2)14(18)12(7)15(19)13(8)16(10(3)4)21-17(20)11(5)6/h9-16,18-19H,1-8H3/t12-,13+,14-,15-,16-/m1/s1
InChIKeyQSVHGWMEZPGRLQ-YIDVYQOGSA-N
XLogP2.86
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.46
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of [(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate?
The IUPAC name of [(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate (CID 10566302) is [(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate.
What is the SMILES notation for [(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate?
The canonical SMILES for [(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate is CC(C)C(=O)O[C@H](C(C)C)[C@@H](C)[C@H](O)[C@H](C)[C@H](O)C(C)C.
What is the InChIKey of [(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate?
The InChIKey is QSVHGWMEZPGRLQ-YIDVYQOGSA-N. The full InChI is InChI=1S/C17H34O4/c1-9(2)14(18)12(7)15(19)13(8)16(10(3)4)21-17(20)11(5)6/h9-16,18-19H,1-8H3/t12-,13+,14-,15-,16-/m1/s1.
What are the key properties of [(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate?
[(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate has a molecular weight of 302.46 g/mol, XLogP of 2.86, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R,4S,5R,6R,7R)-5,7-dihydroxy-2,4,6,8-tetramethylnonan-3-yl] 2-methylpropanoate is sourced from PubChem (CID 10566302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).