(3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol

C11H20O2 — CID 89380514

IUPAC(3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol
SMILESC=C(/C=C/[C@@H](C)[C@H](O)CC)OCC
InChIInChI=1S/C11H20O2/c1-5-11(12)9(3)7-8-10(4)13-6-2/h7-9,11-12H,4-6H2,1-3H3/b8-7+/t9-,11-/m1/s1
InChIKeyLLDVGANTLJZWHS-FQZVFUSHSA-N
MW184.28 g/mol
LogP2.50
Rot. Bonds6

About (3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol

(3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol (PubChem CID 89380514) has the molecular formula C11H20O2 and a molecular weight of 184.28 g/mol. Its IUPAC name is (3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol.

Molecular Properties

Compound Name(3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol
PubChem CID89380514
Molecular FormulaC11H20O2
Molecular Weight184.28 g/mol
Exact Mass184.15
IUPAC Name(3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol
SMILESC=C(/C=C/[C@@H](C)[C@H](O)CC)OCC
InChIInChI=1S/C11H20O2/c1-5-11(12)9(3)7-8-10(4)13-6-2/h7-9,11-12H,4-6H2,1-3H3/b8-7+/t9-,11-/m1/s1
InChIKeyLLDVGANTLJZWHS-FQZVFUSHSA-N
XLogP2.50
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.28
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol?
The IUPAC name of (3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol (CID 89380514) is (3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol.
What is the SMILES notation for (3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol?
The canonical SMILES for (3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol is C=C(/C=C/[C@@H](C)[C@H](O)CC)OCC.
What is the InChIKey of (3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol?
The InChIKey is LLDVGANTLJZWHS-FQZVFUSHSA-N. The full InChI is InChI=1S/C11H20O2/c1-5-11(12)9(3)7-8-10(4)13-6-2/h7-9,11-12H,4-6H2,1-3H3/b8-7+/t9-,11-/m1/s1.
What are the key properties of (3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol?
(3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol has a molecular weight of 184.28 g/mol, XLogP of 2.50, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R,5E)-7-ethoxy-4-methylocta-5,7-dien-3-ol is sourced from PubChem (CID 89380514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).