(1R,3R)-1-ethoxy-1,3-dimethoxydodecane

C16H34O3 — CID 98092966

IUPAC(1R,3R)-1-ethoxy-1,3-dimethoxydodecane
SMILESCCCCCCCCC[C@H](C[C@H](OC)OCC)OC
InChIInChI=1S/C16H34O3/c1-5-7-8-9-10-11-12-13-15(17-3)14-16(18-4)19-6-2/h15-16H,5-14H2,1-4H3/t15-,16-/m1/s1
InChIKeyJWANSQVVYWAKTI-HZPDHXFCSA-N
MW274.44 g/mol
LogP4.54
Rot. Bonds14

About (1R,3R)-1-ethoxy-1,3-dimethoxydodecane

(1R,3R)-1-ethoxy-1,3-dimethoxydodecane (PubChem CID 98092966) has the molecular formula C16H34O3 and a molecular weight of 274.44 g/mol. Its IUPAC name is (1R,3R)-1-ethoxy-1,3-dimethoxydodecane.

Molecular Properties

Compound Name(1R,3R)-1-ethoxy-1,3-dimethoxydodecane
PubChem CID98092966
Molecular FormulaC16H34O3
Molecular Weight274.44 g/mol
Exact Mass274.25
IUPAC Name(1R,3R)-1-ethoxy-1,3-dimethoxydodecane
SMILESCCCCCCCCC[C@H](C[C@H](OC)OCC)OC
InChIInChI=1S/C16H34O3/c1-5-7-8-9-10-11-12-13-15(17-3)14-16(18-4)19-6-2/h15-16H,5-14H2,1-4H3/t15-,16-/m1/s1
InChIKeyJWANSQVVYWAKTI-HZPDHXFCSA-N
XLogP4.54
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds14
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.44
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(3S)-1,1,3-triethoxynonane
CID 3084722
(5S)-5-methoxyundecane
CID 118889956
4-methoxy-2-methyltridecane
CID 150137637
9-ethoxyoctadecane
CID 87148376
1,1-dimethoxytetradecane
CID 13265409
9-methoxypentadecan-2-amine
CID 89335213
(4S)-4-methoxyundecan-1-ol
CID 53329455
12-methoxyoctadecan-1-ol
CID 18347175
2-ethoxy-1-iododecane
CID 13149348
2-(2-methoxyhexadecyl)icosanoic acid
CID 70192088
1,1,1-trifluoro-4-methoxytridecane
CID 150822235
(Z)-16,16-dimethoxyhexadec-7-ene
CID 6438015

Frequently Asked Questions

What is the IUPAC name of (1R,3R)-1-ethoxy-1,3-dimethoxydodecane?
The IUPAC name of (1R,3R)-1-ethoxy-1,3-dimethoxydodecane (CID 98092966) is (1R,3R)-1-ethoxy-1,3-dimethoxydodecane.
What is the SMILES notation for (1R,3R)-1-ethoxy-1,3-dimethoxydodecane?
The canonical SMILES for (1R,3R)-1-ethoxy-1,3-dimethoxydodecane is CCCCCCCCC[C@H](C[C@H](OC)OCC)OC.
What is the InChIKey of (1R,3R)-1-ethoxy-1,3-dimethoxydodecane?
The InChIKey is JWANSQVVYWAKTI-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H34O3/c1-5-7-8-9-10-11-12-13-15(17-3)14-16(18-4)19-6-2/h15-16H,5-14H2,1-4H3/t15-,16-/m1/s1.
What are the key properties of (1R,3R)-1-ethoxy-1,3-dimethoxydodecane?
(1R,3R)-1-ethoxy-1,3-dimethoxydodecane has a molecular weight of 274.44 g/mol, XLogP of 4.54, 14 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,3R)-1-ethoxy-1,3-dimethoxydodecane is sourced from PubChem (CID 98092966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).