(1R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol

C15H28O4 — CID 11323251

IUPAC(1R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol
SMILESCC(C)=CCC[C@](C)(O)[C@H]1CC[C@@](C)([C@H](O)CO)O1
InChIInChI=1S/C15H28O4/c1-11(2)6-5-8-14(3,18)13-7-9-15(4,19-13)12(17)10-16/h6,12-13,16-18H,5,7-10H2,1-4H3/t12-,13-,14+,15+/m1/s1
InChIKeySICFSKNFPYRJCY-KBXIAJHMSA-N
MW272.38 g/mol
LogP1.77
Rot. Bonds6

About (1R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol

(1R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol (PubChem CID 11323251) has the molecular formula C15H28O4 and a molecular weight of 272.38 g/mol. Its IUPAC name is (1R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol.

Molecular Properties

Compound Name(1R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol
PubChem CID11323251
Molecular FormulaC15H28O4
Molecular Weight272.38 g/mol
Exact Mass272.20
IUPAC Name(1R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol
SMILESCC(C)=CCC[C@](C)(O)[C@H]1CC[C@@](C)([C@H](O)CO)O1
InChIInChI=1S/C15H28O4/c1-11(2)6-5-8-14(3,18)13-7-9-15(4,19-13)12(17)10-16/h6,12-13,16-18H,5,7-10H2,1-4H3/t12-,13-,14+,15+/m1/s1
InChIKeySICFSKNFPYRJCY-KBXIAJHMSA-N
XLogP1.77
TPSA69.92 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.38
LogP ≤ 51.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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 (1R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol?
The IUPAC name of (1R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol (CID 11323251) is (1R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol.
What is the SMILES notation for (1R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol?
The canonical SMILES for (1R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol is CC(C)=CCC[C@](C)(O)[C@H]1CC[C@@](C)([C@H](O)CO)O1.
What is the InChIKey of (1R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol?
The InChIKey is SICFSKNFPYRJCY-KBXIAJHMSA-N. The full InChI is InChI=1S/C15H28O4/c1-11(2)6-5-8-14(3,18)13-7-9-15(4,19-13)12(17)10-16/h6,12-13,16-18H,5,7-10H2,1-4H3/t12-,13-,14+,15+/m1/s1.
What are the key properties of (1R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol?
(1R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol has a molecular weight of 272.38 g/mol, XLogP of 1.77, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-[(2S,5R)-5-[(2S)-2-hydroxy-6-methylhept-5-en-2-yl]-2-methyloxolan-2-yl]ethane-1,2-diol is sourced from PubChem (CID 11323251), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).