(2S)-2-methoxypentane

C6H14O — CID 59619140

IUPAC(2S)-2-methoxypentane
SMILESCCC[C@H](C)OC
InChIInChI=1S/C6H14O/c1-4-5-6(2)7-3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyXSAJCGUYMQTAHL-LURJTMIESA-N
MW102.18 g/mol
LogP1.82
Rot. Bonds3

About (2S)-2-methoxypentane

(2S)-2-methoxypentane (PubChem CID 59619140) has the molecular formula C6H14O and a molecular weight of 102.18 g/mol. Its IUPAC name is (2S)-2-methoxypentane.

Molecular Properties

Compound Name(2S)-2-methoxypentane
PubChem CID59619140
Molecular FormulaC6H14O
Molecular Weight102.18 g/mol
Exact Mass102.10
IUPAC Name(2S)-2-methoxypentane
SMILESCCC[C@H](C)OC
InChIInChI=1S/C6H14O/c1-4-5-6(2)7-3/h6H,4-5H2,1-3H3/t6-/m0/s1
InChIKeyXSAJCGUYMQTAHL-LURJTMIESA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500102.18
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (2S)-2-methoxypentane?
The IUPAC name of (2S)-2-methoxypentane (CID 59619140) is (2S)-2-methoxypentane.
What is the SMILES notation for (2S)-2-methoxypentane?
The canonical SMILES for (2S)-2-methoxypentane is CCC[C@H](C)OC.
What is the InChIKey of (2S)-2-methoxypentane?
The InChIKey is XSAJCGUYMQTAHL-LURJTMIESA-N. The full InChI is InChI=1S/C6H14O/c1-4-5-6(2)7-3/h6H,4-5H2,1-3H3/t6-/m0/s1.
What are the key properties of (2S)-2-methoxypentane?
(2S)-2-methoxypentane has a molecular weight of 102.18 g/mol, XLogP of 1.82, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-methoxypentane is sourced from PubChem (CID 59619140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).