(4S)-2-ethoxy-4-methoxy-2-methylpentane

C9H20O2 — CID 88904726

IUPAC(4S)-2-ethoxy-4-methoxy-2-methylpentane
SMILESCCOC(C)(C)C[C@H](C)OC
InChIInChI=1S/C9H20O2/c1-6-11-9(3,4)7-8(2)10-5/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyQHGMUSBEUNILJU-QMMMGPOBSA-N
MW160.26 g/mol
LogP2.23
Rot. Bonds5

About (4S)-2-ethoxy-4-methoxy-2-methylpentane

(4S)-2-ethoxy-4-methoxy-2-methylpentane (PubChem CID 88904726) has the molecular formula C9H20O2 and a molecular weight of 160.26 g/mol. Its IUPAC name is (4S)-2-ethoxy-4-methoxy-2-methylpentane.

Molecular Properties

Compound Name(4S)-2-ethoxy-4-methoxy-2-methylpentane
PubChem CID88904726
Molecular FormulaC9H20O2
Molecular Weight160.26 g/mol
Exact Mass160.15
IUPAC Name(4S)-2-ethoxy-4-methoxy-2-methylpentane
SMILESCCOC(C)(C)C[C@H](C)OC
InChIInChI=1S/C9H20O2/c1-6-11-9(3,4)7-8(2)10-5/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyQHGMUSBEUNILJU-QMMMGPOBSA-N
XLogP2.23
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500160.26
LogP ≤ 52.23
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-ethoxy-4-methoxy-2-methylpentane?
The IUPAC name of (4S)-2-ethoxy-4-methoxy-2-methylpentane (CID 88904726) is (4S)-2-ethoxy-4-methoxy-2-methylpentane.
What is the SMILES notation for (4S)-2-ethoxy-4-methoxy-2-methylpentane?
The canonical SMILES for (4S)-2-ethoxy-4-methoxy-2-methylpentane is CCOC(C)(C)C[C@H](C)OC.
What is the InChIKey of (4S)-2-ethoxy-4-methoxy-2-methylpentane?
The InChIKey is QHGMUSBEUNILJU-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20O2/c1-6-11-9(3,4)7-8(2)10-5/h8H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (4S)-2-ethoxy-4-methoxy-2-methylpentane?
(4S)-2-ethoxy-4-methoxy-2-methylpentane has a molecular weight of 160.26 g/mol, XLogP of 2.23, 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-methoxy-2-methylpentane is sourced from PubChem (CID 88904726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).