(6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol

C15H30O4 — CID 139591330

IUPAC(6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol
SMILESC[C@H]1[C@H]([C@](C)(O)CCC(O)C(C)(C)O)CC[C@@]1(C)O
InChIInChI=1S/C15H30O4/c1-10-11(6-8-14(10,4)18)15(5,19)9-7-12(16)13(2,3)17/h10-12,16-19H,6-9H2,1-5H3/t10-,11+,12?,14+,15+/m0/s1
InChIKeySRVFQFPFJNHMEK-IVGFHQPOSA-N
MW274.40 g/mol
LogP1.45
Rot. Bonds5

About (6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol

(6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol (PubChem CID 139591330) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is (6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol.

Molecular Properties

Compound Name(6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol
PubChem CID139591330
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name(6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol
SMILESC[C@H]1[C@H]([C@](C)(O)CCC(O)C(C)(C)O)CC[C@@]1(C)O
InChIInChI=1S/C15H30O4/c1-10-11(6-8-14(10,4)18)15(5,19)9-7-12(16)13(2,3)17/h10-12,16-19H,6-9H2,1-5H3/t10-,11+,12?,14+,15+/m0/s1
InChIKeySRVFQFPFJNHMEK-IVGFHQPOSA-N
XLogP1.45
TPSA80.92 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.40
LogP ≤ 51.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol?
The IUPAC name of (6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol (CID 139591330) is (6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol.
What is the SMILES notation for (6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol?
The canonical SMILES for (6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol is C[C@H]1[C@H]([C@](C)(O)CCC(O)C(C)(C)O)CC[C@@]1(C)O.
What is the InChIKey of (6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol?
The InChIKey is SRVFQFPFJNHMEK-IVGFHQPOSA-N. The full InChI is InChI=1S/C15H30O4/c1-10-11(6-8-14(10,4)18)15(5,19)9-7-12(16)13(2,3)17/h10-12,16-19H,6-9H2,1-5H3/t10-,11+,12?,14+,15+/m0/s1.
What are the key properties of (6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol?
(6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol has a molecular weight of 274.40 g/mol, XLogP of 1.45, 5 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-6-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol is sourced from PubChem (CID 139591330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).