(2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol

C20H34O2 — CID 87863906

IUPAC(2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol
SMILESC=C[C@@](C)(CCC=C(C)C)OC(O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H34O2/c1-8-20(7,14-10-12-17(4)5)22-19(21)15-18(6)13-9-11-16(2)3/h8,11-12,15,19,21H,1,9-10,13-14H2,2-7H3/b18-15+/t19?,20-/m0/s1
InChIKeyFUDYDSXJQVRUNT-ZKKISFEESA-N
MW306.49 g/mol
LogP5.71
Rot. Bonds10

About (2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol

(2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol (PubChem CID 87863906) has the molecular formula C20H34O2 and a molecular weight of 306.49 g/mol. Its IUPAC name is (2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol.

Molecular Properties

Compound Name(2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol
PubChem CID87863906
Molecular FormulaC20H34O2
Molecular Weight306.49 g/mol
Exact Mass306.26
IUPAC Name(2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol
SMILESC=C[C@@](C)(CCC=C(C)C)OC(O)/C=C(\C)CCC=C(C)C
InChIInChI=1S/C20H34O2/c1-8-20(7,14-10-12-17(4)5)22-19(21)15-18(6)13-9-11-16(2)3/h8,11-12,15,19,21H,1,9-10,13-14H2,2-7H3/b18-15+/t19?,20-/m0/s1
InChIKeyFUDYDSXJQVRUNT-ZKKISFEESA-N
XLogP5.71
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500306.49
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze (2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-2,6-diene
CID 76549407
[(3S,6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
CID 25021984
[(6E)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] 2-methylpropanoate
CID 5363453
(6R)-8,8-bis[[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy]-2,6-dimethyloct-2-ene
CID 87863923
acetic acid;3-(3,7-dimethylocta-1,6-dien-3-yloxy)-3,7-dimethylocta-1,6-diene
CID 174957070
(6E,10E)-3,7,11,15-tetramethylhexadeca-1,6,10,14-tetraene-3,5,9-triol
CID 10734640
(3E)-1,1,1-trifluoro-4,8-dimethylnona-3,7-dien-2-ol
CID 56942415
(4R,5E,9E)-6,10,14-trimethylpentadeca-1,5,9,13-tetraen-4-ol
CID 10890690
phosphono [(3S)-3,7,11-trimethyldodeca-1,6,10-trien-3-yl] hydrogen phosphate
CID 123262042
3,3-bis(3,7-dimethylocta-1,6-dien-3-yloxy)propylbenzene
CID 3020316
(2Z,6E)-3,7,11-trimethyldodeca-2,6,10-triene-1,1-diol
CID 140692996
3-(2-ethoxyethoxy)-3,7-dimethylocta-1,6-diene
CID 57288719

Frequently Asked Questions

What is the IUPAC name of (2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol?
The IUPAC name of (2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol (CID 87863906) is (2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol.
What is the SMILES notation for (2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol?
The canonical SMILES for (2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol is C=C[C@@](C)(CCC=C(C)C)OC(O)/C=C(\C)CCC=C(C)C.
What is the InChIKey of (2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol?
The InChIKey is FUDYDSXJQVRUNT-ZKKISFEESA-N. The full InChI is InChI=1S/C20H34O2/c1-8-20(7,14-10-12-17(4)5)22-19(21)15-18(6)13-9-11-16(2)3/h8,11-12,15,19,21H,1,9-10,13-14H2,2-7H3/b18-15+/t19?,20-/m0/s1.
What are the key properties of (2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol?
(2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol has a molecular weight of 306.49 g/mol, XLogP of 5.71, 10 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2E)-1-[(3R)-3,7-dimethylocta-1,6-dien-3-yl]oxy-3,7-dimethylocta-2,6-dien-1-ol is sourced from PubChem (CID 87863906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).