(3S)-3-methoxy-2,2,3,4-tetramethylpentane

C10H22O — CID 59039347

IUPAC(3S)-3-methoxy-2,2,3,4-tetramethylpentane
SMILESCO[C@@](C)(C(C)C)C(C)(C)C
InChIInChI=1S/C10H22O/c1-8(2)10(6,11-7)9(3,4)5/h8H,1-7H3/t10-/m0/s1
InChIKeyFFWKHZSULXTIFN-JTQLQIEISA-N
MW158.28 g/mol
LogP3.09
Rot. Bonds2

About (3S)-3-methoxy-2,2,3,4-tetramethylpentane

(3S)-3-methoxy-2,2,3,4-tetramethylpentane (PubChem CID 59039347) has the molecular formula C10H22O and a molecular weight of 158.28 g/mol. Its IUPAC name is (3S)-3-methoxy-2,2,3,4-tetramethylpentane.

Molecular Properties

Compound Name(3S)-3-methoxy-2,2,3,4-tetramethylpentane
PubChem CID59039347
Molecular FormulaC10H22O
Molecular Weight158.28 g/mol
Exact Mass158.17
IUPAC Name(3S)-3-methoxy-2,2,3,4-tetramethylpentane
SMILESCO[C@@](C)(C(C)C)C(C)(C)C
InChIInChI=1S/C10H22O/c1-8(2)10(6,11-7)9(3,4)5/h8H,1-7H3/t10-/m0/s1
InChIKeyFFWKHZSULXTIFN-JTQLQIEISA-N
XLogP3.09
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500158.28
LogP ≤ 53.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-methoxy-2,2,3,4-tetramethylpentane?
The IUPAC name of (3S)-3-methoxy-2,2,3,4-tetramethylpentane (CID 59039347) is (3S)-3-methoxy-2,2,3,4-tetramethylpentane.
What is the SMILES notation for (3S)-3-methoxy-2,2,3,4-tetramethylpentane?
The canonical SMILES for (3S)-3-methoxy-2,2,3,4-tetramethylpentane is CO[C@@](C)(C(C)C)C(C)(C)C.
What is the InChIKey of (3S)-3-methoxy-2,2,3,4-tetramethylpentane?
The InChIKey is FFWKHZSULXTIFN-JTQLQIEISA-N. The full InChI is InChI=1S/C10H22O/c1-8(2)10(6,11-7)9(3,4)5/h8H,1-7H3/t10-/m0/s1.
What are the key properties of (3S)-3-methoxy-2,2,3,4-tetramethylpentane?
(3S)-3-methoxy-2,2,3,4-tetramethylpentane has a molecular weight of 158.28 g/mol, XLogP of 3.09, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-methoxy-2,2,3,4-tetramethylpentane is sourced from PubChem (CID 59039347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).