(4S)-2-ethoxy-4-methoxypentane

C8H18O2 — CID 88970287

IUPAC(4S)-2-ethoxy-4-methoxypentane
SMILESCCOC(C)C[C@H](C)OC
InChIInChI=1S/C8H18O2/c1-5-10-8(3)6-7(2)9-4/h7-8H,5-6H2,1-4H3/t7-,8?/m0/s1
InChIKeyQYIGVLMDCWAMLE-JAMMHHFISA-N
MW146.23 g/mol
LogP1.84
Rot. Bonds5

About (4S)-2-ethoxy-4-methoxypentane

(4S)-2-ethoxy-4-methoxypentane (PubChem CID 88970287) has the molecular formula C8H18O2 and a molecular weight of 146.23 g/mol. Its IUPAC name is (4S)-2-ethoxy-4-methoxypentane.

Molecular Properties

Compound Name(4S)-2-ethoxy-4-methoxypentane
PubChem CID88970287
Molecular FormulaC8H18O2
Molecular Weight146.23 g/mol
Exact Mass146.13
IUPAC Name(4S)-2-ethoxy-4-methoxypentane
SMILESCCOC(C)C[C@H](C)OC
InChIInChI=1S/C8H18O2/c1-5-10-8(3)6-7(2)9-4/h7-8H,5-6H2,1-4H3/t7-,8?/m0/s1
InChIKeyQYIGVLMDCWAMLE-JAMMHHFISA-N
XLogP1.84
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500146.23
LogP ≤ 51.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-chloro-1,3-diethoxybutane
CID 15602163
1-ethoxy-2-(2-ethoxypropoxy)propane;1-ethoxy-2-(2-methoxypropoxy)propane
CID 159210596
2-[2-(2-ethoxypropoxy)propoxy]propan-1-ol;2-[2-(2-methoxypropoxy)propoxy]propan-1-ol
CID 160742251
4-ethoxypent-1-ene
CID 12776575
(2R,4S)-4-methoxypentan-2-ol
CID 59003340
1,1-dimethoxyethane;1-ethoxy-1-methoxyethane
CID 175467857
2-ethoxy-1-(2-ethoxypropoxy)propane
CID 21277912
N-(2,2-diethoxyethyl)-2-methoxypropan-1-amine
CID 102697934
2-ethoxy-5,7-dimethyloctan-4-ol
CID 134339583
2-methoxy-4-(2-methoxyethoxy)hexane
CID 118459272
methanol;5-methoxyhexan-3-ol
CID 171659791
[ethoxy(methoxy)methoxy]ethane
CID 20564684

Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethoxy-4-methoxypentane?
The IUPAC name of (4S)-2-ethoxy-4-methoxypentane (CID 88970287) is (4S)-2-ethoxy-4-methoxypentane.
What is the SMILES notation for (4S)-2-ethoxy-4-methoxypentane?
The canonical SMILES for (4S)-2-ethoxy-4-methoxypentane is CCOC(C)C[C@H](C)OC.
What is the InChIKey of (4S)-2-ethoxy-4-methoxypentane?
The InChIKey is QYIGVLMDCWAMLE-JAMMHHFISA-N. The full InChI is InChI=1S/C8H18O2/c1-5-10-8(3)6-7(2)9-4/h7-8H,5-6H2,1-4H3/t7-,8?/m0/s1.
What are the key properties of (4S)-2-ethoxy-4-methoxypentane?
(4S)-2-ethoxy-4-methoxypentane has a molecular weight of 146.23 g/mol, XLogP of 1.84, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-ethoxy-4-methoxypentane is sourced from PubChem (CID 88970287), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).