trans-(1S,2S)-1-methoxy-2-methylcyclopentane

C7H14O — CID 10329285

IUPACtrans-(1S,2S)-1-methoxy-2-methylcyclopentane
SMILESCO[C@H]1CCC[C@@H]1C
InChIInChI=1S/C7H14O/c1-6-4-3-5-7(6)8-2/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyHMMJMDWGCVGCCK-BQBZGAKWSA-N
MW114.19 g/mol
LogP1.82
Rot. Bonds1

About trans-(1S,2S)-1-methoxy-2-methylcyclopentane

trans-(1S,2S)-1-methoxy-2-methylcyclopentane (PubChem CID 10329285) has the molecular formula C7H14O and a molecular weight of 114.19 g/mol. Its IUPAC name is trans-(1S,2S)-1-methoxy-2-methylcyclopentane.

Molecular Properties

Compound Nametrans-(1S,2S)-1-methoxy-2-methylcyclopentane
PubChem CID10329285
Molecular FormulaC7H14O
Molecular Weight114.19 g/mol
Exact Mass114.10
IUPAC Nametrans-(1S,2S)-1-methoxy-2-methylcyclopentane
SMILESCO[C@H]1CCC[C@@H]1C
InChIInChI=1S/C7H14O/c1-6-4-3-5-7(6)8-2/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1
InChIKeyHMMJMDWGCVGCCK-BQBZGAKWSA-N
XLogP1.82
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500114.19
LogP ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

trans-2-Methylcyclopentan-1-ol
CID 32804
trans-2-Methylcyclopentanol
CID 6432271
2-Methylcyclopentanol
CID 32205
Cyclopentanol, 2-methyl-, cis-
CID 32805
(1S,2R)-2-methylcyclopentanol
CID 642631
cis-(1S,2R)-1-methoxy-2-methylcyclopentane
CID 10261072
1-(Bromomethyl)-2-methoxycyclopentane
CID 162342426
trans-(1R,3R)-1-methoxy-3-methylcyclopentane
CID 12176015
cis-(1R,3S)-1-methoxy-3-methylcyclopentane
CID 12176016
2-Methoxy-methylcyclopentane
CID 12868288
1-Methyl-2-(trifluoromethoxy)cyclopentane
CID 149039032
1-Methoxy-2-(trifluoromethyl)cyclopentane
CID 167481694

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2S)-1-methoxy-2-methylcyclopentane?
The IUPAC name of trans-(1S,2S)-1-methoxy-2-methylcyclopentane (CID 10329285) is trans-(1S,2S)-1-methoxy-2-methylcyclopentane.
What is the SMILES notation for trans-(1S,2S)-1-methoxy-2-methylcyclopentane?
The canonical SMILES for trans-(1S,2S)-1-methoxy-2-methylcyclopentane is CO[C@H]1CCC[C@@H]1C.
What is the InChIKey of trans-(1S,2S)-1-methoxy-2-methylcyclopentane?
The InChIKey is HMMJMDWGCVGCCK-BQBZGAKWSA-N. The full InChI is InChI=1S/C7H14O/c1-6-4-3-5-7(6)8-2/h6-7H,3-5H2,1-2H3/t6-,7-/m0/s1.
What are the key properties of trans-(1S,2S)-1-methoxy-2-methylcyclopentane?
trans-(1S,2S)-1-methoxy-2-methylcyclopentane has a molecular weight of 114.19 g/mol, XLogP of 1.82, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2S)-1-methoxy-2-methylcyclopentane is sourced from PubChem (CID 10329285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).