(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane

C13H26O2 — CID 15652075

IUPAC(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane
SMILESC=C[C@H](CCCC)[C@H](OCOC)C(C)C
InChIInChI=1S/C13H26O2/c1-6-8-9-12(7-2)13(11(3)4)15-10-14-5/h7,11-13H,2,6,8-10H2,1,3-5H3/t12-,13-/m1/s1
InChIKeyYRESKTGLOCHNOH-CHWSQXEVSA-N
MW214.35 g/mol
LogP3.62
Rot. Bonds9

About (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane

(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane (PubChem CID 15652075) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane.

Molecular Properties

Compound Name(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane
PubChem CID15652075
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Name(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane
SMILESC=C[C@H](CCCC)[C@H](OCOC)C(C)C
InChIInChI=1S/C13H26O2/c1-6-8-9-12(7-2)13(11(3)4)15-10-14-5/h7,11-13H,2,6,8-10H2,1,3-5H3/t12-,13-/m1/s1
InChIKeyYRESKTGLOCHNOH-CHWSQXEVSA-N
XLogP3.62
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds9
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.62
H-Bond Donors ≤ 50
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'}

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Frequently Asked Questions

What is the IUPAC name of (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane?
The IUPAC name of (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane (CID 15652075) is (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane.
What is the SMILES notation for (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane?
The canonical SMILES for (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane is C=C[C@H](CCCC)[C@H](OCOC)C(C)C.
What is the InChIKey of (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane?
The InChIKey is YRESKTGLOCHNOH-CHWSQXEVSA-N. The full InChI is InChI=1S/C13H26O2/c1-6-8-9-12(7-2)13(11(3)4)15-10-14-5/h7,11-13H,2,6,8-10H2,1,3-5H3/t12-,13-/m1/s1.
What are the key properties of (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane?
(3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane has a molecular weight of 214.35 g/mol, XLogP of 3.62, 9 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4S)-4-ethenyl-3-(methoxymethoxy)-2-methyloctane is sourced from PubChem (CID 15652075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).