(3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol

C11H18O2 — CID 134950068

IUPAC(3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol
SMILESC=C/C=C(\C)[C@H]1CC[C@H](C)C(O)O1
InChIInChI=1S/C11H18O2/c1-4-5-8(2)10-7-6-9(3)11(12)13-10/h4-5,9-12H,1,6-7H2,2-3H3/b8-5+/t9-,10+,11?/m0/s1
InChIKeyXEHQOOAZFMDAKR-PDJZCJMWSA-N
MW182.26 g/mol
LogP2.25
Rot. Bonds2

About (3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol

(3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol (PubChem CID 134950068) has the molecular formula C11H18O2 and a molecular weight of 182.26 g/mol. Its IUPAC name is (3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol.

Molecular Properties

Compound Name(3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol
PubChem CID134950068
Molecular FormulaC11H18O2
Molecular Weight182.26 g/mol
Exact Mass182.13
IUPAC Name(3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol
SMILESC=C/C=C(\C)[C@H]1CC[C@H](C)C(O)O1
InChIInChI=1S/C11H18O2/c1-4-5-8(2)10-7-6-9(3)11(12)13-10/h4-5,9-12H,1,6-7H2,2-3H3/b8-5+/t9-,10+,11?/m0/s1
InChIKeyXEHQOOAZFMDAKR-PDJZCJMWSA-N
XLogP2.25
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500182.26
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol 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 (3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol?
The IUPAC name of (3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol (CID 134950068) is (3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol.
What is the SMILES notation for (3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol?
The canonical SMILES for (3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol is C=C/C=C(\C)[C@H]1CC[C@H](C)C(O)O1.
What is the InChIKey of (3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol?
The InChIKey is XEHQOOAZFMDAKR-PDJZCJMWSA-N. The full InChI is InChI=1S/C11H18O2/c1-4-5-8(2)10-7-6-9(3)11(12)13-10/h4-5,9-12H,1,6-7H2,2-3H3/b8-5+/t9-,10+,11?/m0/s1.
What are the key properties of (3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol?
(3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol has a molecular weight of 182.26 g/mol, XLogP of 2.25, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6R)-3-methyl-6-[(2E)-penta-2,4-dien-2-yl]oxan-2-ol is sourced from PubChem (CID 134950068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).