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

C15H30O4 — CID 146682954

IUPAC6-[(1S,2R,3S)-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?/m1/s1
InChIKeySRVFQFPFJNHMEK-IFWOFNKPSA-N
MW274.40 g/mol
LogP1.45
Rot. Bonds5

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

6-[(1S,2R,3S)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol (PubChem CID 146682954) has the molecular formula C15H30O4 and a molecular weight of 274.40 g/mol. Its IUPAC name is 6-[(1S,2R,3S)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol.

Molecular Properties

Compound Name6-[(1S,2R,3S)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol
PubChem CID146682954
Molecular FormulaC15H30O4
Molecular Weight274.40 g/mol
Exact Mass274.21
IUPAC Name6-[(1S,2R,3S)-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?/m1/s1
InChIKeySRVFQFPFJNHMEK-IFWOFNKPSA-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-[(1S,2R,3S)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol?
The IUPAC name of 6-[(1S,2R,3S)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol (CID 146682954) is 6-[(1S,2R,3S)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol.
What is the SMILES notation for 6-[(1S,2R,3S)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol?
The canonical SMILES for 6-[(1S,2R,3S)-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 6-[(1S,2R,3S)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol?
The InChIKey is SRVFQFPFJNHMEK-IFWOFNKPSA-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?/m1/s1.
What are the key properties of 6-[(1S,2R,3S)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol?
6-[(1S,2R,3S)-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 6-[(1S,2R,3S)-3-hydroxy-2,3-dimethylcyclopentyl]-2-methylheptane-2,3,6-triol is sourced from PubChem (CID 146682954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).