(4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol

C13H22O2 — CID 10560412

IUPAC(4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol
SMILESC=CCC[C@@H](O)[C@@](C)(CC=C)OCC=C
InChIInChI=1S/C13H22O2/c1-5-8-9-12(14)13(4,10-6-2)15-11-7-3/h5-7,12,14H,1-3,8-11H2,4H3/t12-,13-/m1/s1
InChIKeyXYFUOLRNZVIRET-CHWSQXEVSA-N
MW210.32 g/mol
LogP2.85
Rot. Bonds9

About (4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol

(4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol (PubChem CID 10560412) has the molecular formula C13H22O2 and a molecular weight of 210.32 g/mol. Its IUPAC name is (4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol.

Molecular Properties

Compound Name(4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol
PubChem CID10560412
Molecular FormulaC13H22O2
Molecular Weight210.32 g/mol
Exact Mass210.16
IUPAC Name(4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol
SMILESC=CCC[C@@H](O)[C@@](C)(CC=C)OCC=C
InChIInChI=1S/C13H22O2/c1-5-8-9-12(14)13(4,10-6-2)15-11-7-3/h5-7,12,14H,1-3,8-11H2,4H3/t12-,13-/m1/s1
InChIKeyXYFUOLRNZVIRET-CHWSQXEVSA-N
XLogP2.85
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze (4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-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 (4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol?
The IUPAC name of (4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol (CID 10560412) is (4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol.
What is the SMILES notation for (4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol?
The canonical SMILES for (4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol is C=CCC[C@@H](O)[C@@](C)(CC=C)OCC=C.
What is the InChIKey of (4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol?
The InChIKey is XYFUOLRNZVIRET-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H22O2/c1-5-8-9-12(14)13(4,10-6-2)15-11-7-3/h5-7,12,14H,1-3,8-11H2,4H3/t12-,13-/m1/s1.
What are the key properties of (4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol?
(4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol has a molecular weight of 210.32 g/mol, XLogP of 2.85, 9 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-4-methyl-4-prop-2-enoxynona-1,8-dien-5-ol is sourced from PubChem (CID 10560412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).