(3S)-3-ethoxy-2,2-dimethylpentane

C9H20O — CID 88893623

IUPAC(3S)-3-ethoxy-2,2-dimethylpentane
SMILESCCO[C@@H](CC)C(C)(C)C
InChIInChI=1S/C9H20O/c1-6-8(10-7-2)9(3,4)5/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyMWAFVTIPEZQACK-QMMMGPOBSA-N
MW144.26 g/mol
LogP2.85
Rot. Bonds3

About (3S)-3-ethoxy-2,2-dimethylpentane

(3S)-3-ethoxy-2,2-dimethylpentane (PubChem CID 88893623) has the molecular formula C9H20O and a molecular weight of 144.26 g/mol. Its IUPAC name is (3S)-3-ethoxy-2,2-dimethylpentane.

Molecular Properties

Compound Name(3S)-3-ethoxy-2,2-dimethylpentane
PubChem CID88893623
Molecular FormulaC9H20O
Molecular Weight144.26 g/mol
Exact Mass144.15
IUPAC Name(3S)-3-ethoxy-2,2-dimethylpentane
SMILESCCO[C@@H](CC)C(C)(C)C
InChIInChI=1S/C9H20O/c1-6-8(10-7-2)9(3,4)5/h8H,6-7H2,1-5H3/t8-/m0/s1
InChIKeyMWAFVTIPEZQACK-QMMMGPOBSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500144.26
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-ethoxy-2,2-dimethylpentane?
The IUPAC name of (3S)-3-ethoxy-2,2-dimethylpentane (CID 88893623) is (3S)-3-ethoxy-2,2-dimethylpentane.
What is the SMILES notation for (3S)-3-ethoxy-2,2-dimethylpentane?
The canonical SMILES for (3S)-3-ethoxy-2,2-dimethylpentane is CCO[C@@H](CC)C(C)(C)C.
What is the InChIKey of (3S)-3-ethoxy-2,2-dimethylpentane?
The InChIKey is MWAFVTIPEZQACK-QMMMGPOBSA-N. The full InChI is InChI=1S/C9H20O/c1-6-8(10-7-2)9(3,4)5/h8H,6-7H2,1-5H3/t8-/m0/s1.
What are the key properties of (3S)-3-ethoxy-2,2-dimethylpentane?
(3S)-3-ethoxy-2,2-dimethylpentane has a molecular weight of 144.26 g/mol, XLogP of 2.85, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-ethoxy-2,2-dimethylpentane is sourced from PubChem (CID 88893623), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).