(1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane

C8H16O — CID 166889412

IUPAC(1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane
SMILESCO[C@H]1CC[C@H](C)[C@@H]1C
InChIInChI=1S/C8H16O/c1-6-4-5-8(9-3)7(6)2/h6-8H,4-5H2,1-3H3/t6-,7-,8-/m0/s1
InChIKeyLGLRYJDFHYBMKO-FXQIFTODSA-N
MW128.22 g/mol
LogP2.07
Rot. Bonds1

About (1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane

(1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane (PubChem CID 166889412) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is (1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane.

Molecular Properties

Compound Name(1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane
PubChem CID166889412
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Name(1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane
SMILESCO[C@H]1CC[C@H](C)[C@@H]1C
InChIInChI=1S/C8H16O/c1-6-4-5-8(9-3)7(6)2/h6-8H,4-5H2,1-3H3/t6-,7-,8-/m0/s1
InChIKeyLGLRYJDFHYBMKO-FXQIFTODSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.22
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane?
The IUPAC name of (1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane (CID 166889412) is (1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane.
What is the SMILES notation for (1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane?
The canonical SMILES for (1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane is CO[C@H]1CC[C@H](C)[C@@H]1C.
What is the InChIKey of (1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane?
The InChIKey is LGLRYJDFHYBMKO-FXQIFTODSA-N. The full InChI is InChI=1S/C8H16O/c1-6-4-5-8(9-3)7(6)2/h6-8H,4-5H2,1-3H3/t6-,7-,8-/m0/s1.
What are the key properties of (1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane?
(1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane has a molecular weight of 128.22 g/mol, XLogP of 2.07, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2S,3S)-1-methoxy-2,3-dimethylcyclopentane is sourced from PubChem (CID 166889412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).