(2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-6-ene-2,5-diol

C15H28O3 — CID 139590989

IUPAC(2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-6-ene-2,5-diol
SMILESC=C(C)C(O)CC[C@@](C)(O)[C@@H]1CC[C@@](C)(O)[C@H]1C
InChIInChI=1S/C15H28O3/c1-10(2)13(16)7-9-15(5,18)12-6-8-14(4,17)11(12)3/h11-13,16-18H,1,6-9H2,2-5H3/t11-,12+,13?,14+,15+/m0/s1
InChIKeyPSQSUHLTDGYHTN-KEKZVJSRSA-N
MW256.39 g/mol
LogP2.25
Rot. Bonds5

About (2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-6-ene-2,5-diol

(2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-6-ene-2,5-diol (PubChem CID 139590989) has the molecular formula C15H28O3 and a molecular weight of 256.39 g/mol. Its IUPAC name is (2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-6-ene-2,5-diol.

Molecular Properties

Compound Name(2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-6-ene-2,5-diol
PubChem CID139590989
Molecular FormulaC15H28O3
Molecular Weight256.39 g/mol
Exact Mass256.20
IUPAC Name(2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-6-ene-2,5-diol
SMILESC=C(C)C(O)CC[C@@](C)(O)[C@@H]1CC[C@@](C)(O)[C@H]1C
InChIInChI=1S/C15H28O3/c1-10(2)13(16)7-9-15(5,18)12-6-8-14(4,17)11(12)3/h11-13,16-18H,1,6-9H2,2-5H3/t11-,12+,13?,14+,15+/m0/s1
InChIKeyPSQSUHLTDGYHTN-KEKZVJSRSA-N
XLogP2.25
TPSA60.69 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.39
LogP ≤ 52.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-6-ene-2,5-diol?
The IUPAC name of (2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-6-ene-2,5-diol (CID 139590989) is (2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-6-ene-2,5-diol.
What is the SMILES notation for (2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-6-ene-2,5-diol?
The canonical SMILES for (2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-6-ene-2,5-diol is C=C(C)C(O)CC[C@@](C)(O)[C@@H]1CC[C@@](C)(O)[C@H]1C.
What is the InChIKey of (2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-6-ene-2,5-diol?
The InChIKey is PSQSUHLTDGYHTN-KEKZVJSRSA-N. The full InChI is InChI=1S/C15H28O3/c1-10(2)13(16)7-9-15(5,18)12-6-8-14(4,17)11(12)3/h11-13,16-18H,1,6-9H2,2-5H3/t11-,12+,13?,14+,15+/m0/s1.
What are the key properties of (2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-6-ene-2,5-diol?
(2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-6-ene-2,5-diol has a molecular weight of 256.39 g/mol, XLogP of 2.25, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(1R,2S,3R)-3-hydroxy-2,3-dimethylcyclopentyl]-6-methylhept-6-ene-2,5-diol is sourced from PubChem (CID 139590989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).