(4S,6R)-4-ethoxy-6-methoxyundec-1-ene

C14H28O2 — CID 134943512

IUPAC(4S,6R)-4-ethoxy-6-methoxyundec-1-ene
SMILESC=CC[C@@H](C[C@@H](CCCCC)OC)OCC
InChIInChI=1S/C14H28O2/c1-5-8-9-11-13(15-4)12-14(10-6-2)16-7-3/h6,13-14H,2,5,7-12H2,1,3-4H3/t13-,14+/m1/s1
InChIKeyZHCAASYPQKGBNE-KGLIPLIRSA-N
MW228.38 g/mol
LogP3.95
Rot. Bonds11

About (4S,6R)-4-ethoxy-6-methoxyundec-1-ene

(4S,6R)-4-ethoxy-6-methoxyundec-1-ene (PubChem CID 134943512) has the molecular formula C14H28O2 and a molecular weight of 228.38 g/mol. Its IUPAC name is (4S,6R)-4-ethoxy-6-methoxyundec-1-ene.

Molecular Properties

Compound Name(4S,6R)-4-ethoxy-6-methoxyundec-1-ene
PubChem CID134943512
Molecular FormulaC14H28O2
Molecular Weight228.38 g/mol
Exact Mass228.21
IUPAC Name(4S,6R)-4-ethoxy-6-methoxyundec-1-ene
SMILESC=CC[C@@H](C[C@@H](CCCCC)OC)OCC
InChIInChI=1S/C14H28O2/c1-5-8-9-11-13(15-4)12-14(10-6-2)16-7-3/h6,13-14H,2,5,7-12H2,1,3-4H3/t13-,14+/m1/s1
InChIKeyZHCAASYPQKGBNE-KGLIPLIRSA-N
XLogP3.95
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds11
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.38
LogP ≤ 53.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (4S,6R)-4-ethoxy-6-methoxyundec-1-ene?
The IUPAC name of (4S,6R)-4-ethoxy-6-methoxyundec-1-ene (CID 134943512) is (4S,6R)-4-ethoxy-6-methoxyundec-1-ene.
What is the SMILES notation for (4S,6R)-4-ethoxy-6-methoxyundec-1-ene?
The canonical SMILES for (4S,6R)-4-ethoxy-6-methoxyundec-1-ene is C=CC[C@@H](C[C@@H](CCCCC)OC)OCC.
What is the InChIKey of (4S,6R)-4-ethoxy-6-methoxyundec-1-ene?
The InChIKey is ZHCAASYPQKGBNE-KGLIPLIRSA-N. The full InChI is InChI=1S/C14H28O2/c1-5-8-9-11-13(15-4)12-14(10-6-2)16-7-3/h6,13-14H,2,5,7-12H2,1,3-4H3/t13-,14+/m1/s1.
What are the key properties of (4S,6R)-4-ethoxy-6-methoxyundec-1-ene?
(4S,6R)-4-ethoxy-6-methoxyundec-1-ene has a molecular weight of 228.38 g/mol, XLogP of 3.95, 11 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,6R)-4-ethoxy-6-methoxyundec-1-ene is sourced from PubChem (CID 134943512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).