(5R)-5-[(1S)-1,8-dihydroxy-2,4,6-trimethyloct-6-enyl]oxolan-2-one

C15H26O4 — CID 146682480

IUPAC(5R)-5-[(1S)-1,8-dihydroxy-2,4,6-trimethyloct-6-enyl]oxolan-2-one
SMILESCC(=CCO)CC(C)CC(C)[C@H](O)[C@H]1CCC(=O)O1
InChIInChI=1S/C15H26O4/c1-10(6-7-16)8-11(2)9-12(3)15(18)13-4-5-14(17)19-13/h6,11-13,15-16,18H,4-5,7-9H2,1-3H3/t11?,12?,13-,15+/m1/s1
InChIKeyCIWHGWDVOWJXJH-SJQFEJMWSA-N
MW270.37 g/mol
LogP2.04
Rot. Bonds7

About (5R)-5-[(1S)-1,8-dihydroxy-2,4,6-trimethyloct-6-enyl]oxolan-2-one

(5R)-5-[(1S)-1,8-dihydroxy-2,4,6-trimethyloct-6-enyl]oxolan-2-one (PubChem CID 146682480) has the molecular formula C15H26O4 and a molecular weight of 270.37 g/mol. Its IUPAC name is (5R)-5-[(1S)-1,8-dihydroxy-2,4,6-trimethyloct-6-enyl]oxolan-2-one.

Molecular Properties

Compound Name(5R)-5-[(1S)-1,8-dihydroxy-2,4,6-trimethyloct-6-enyl]oxolan-2-one
PubChem CID146682480
Molecular FormulaC15H26O4
Molecular Weight270.37 g/mol
Exact Mass270.18
IUPAC Name(5R)-5-[(1S)-1,8-dihydroxy-2,4,6-trimethyloct-6-enyl]oxolan-2-one
SMILESCC(=CCO)CC(C)CC(C)[C@H](O)[C@H]1CCC(=O)O1
InChIInChI=1S/C15H26O4/c1-10(6-7-16)8-11(2)9-12(3)15(18)13-4-5-14(17)19-13/h6,11-13,15-16,18H,4-5,7-9H2,1-3H3/t11?,12?,13-,15+/m1/s1
InChIKeyCIWHGWDVOWJXJH-SJQFEJMWSA-N
XLogP2.04
TPSA66.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.37
LogP ≤ 52.04
H-Bond Donors ≤ 52
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 (5R)-5-[(1S)-1,8-dihydroxy-2,4,6-trimethyloct-6-enyl]oxolan-2-one?
The IUPAC name of (5R)-5-[(1S)-1,8-dihydroxy-2,4,6-trimethyloct-6-enyl]oxolan-2-one (CID 146682480) is (5R)-5-[(1S)-1,8-dihydroxy-2,4,6-trimethyloct-6-enyl]oxolan-2-one.
What is the SMILES notation for (5R)-5-[(1S)-1,8-dihydroxy-2,4,6-trimethyloct-6-enyl]oxolan-2-one?
The canonical SMILES for (5R)-5-[(1S)-1,8-dihydroxy-2,4,6-trimethyloct-6-enyl]oxolan-2-one is CC(=CCO)CC(C)CC(C)[C@H](O)[C@H]1CCC(=O)O1.
What is the InChIKey of (5R)-5-[(1S)-1,8-dihydroxy-2,4,6-trimethyloct-6-enyl]oxolan-2-one?
The InChIKey is CIWHGWDVOWJXJH-SJQFEJMWSA-N. The full InChI is InChI=1S/C15H26O4/c1-10(6-7-16)8-11(2)9-12(3)15(18)13-4-5-14(17)19-13/h6,11-13,15-16,18H,4-5,7-9H2,1-3H3/t11?,12?,13-,15+/m1/s1.
What are the key properties of (5R)-5-[(1S)-1,8-dihydroxy-2,4,6-trimethyloct-6-enyl]oxolan-2-one?
(5R)-5-[(1S)-1,8-dihydroxy-2,4,6-trimethyloct-6-enyl]oxolan-2-one has a molecular weight of 270.37 g/mol, XLogP of 2.04, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-5-[(1S)-1,8-dihydroxy-2,4,6-trimethyloct-6-enyl]oxolan-2-one is sourced from PubChem (CID 146682480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).