trans-(1S,2R)-1-(methoxymethyl)-2-methylcyclopentane

C8H16O — CID 67985968

IUPACtrans-(1S,2R)-1-(methoxymethyl)-2-methylcyclopentane
SMILESCOC[C@H]1CCC[C@H]1C
InChIInChI=1S/C8H16O/c1-7-4-3-5-8(7)6-9-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyNZTNVFHZVPBSDX-HTQZYQBOSA-N
MW128.22 g/mol
LogP2.07
Rot. Bonds2

About trans-(1S,2R)-1-(methoxymethyl)-2-methylcyclopentane

trans-(1S,2R)-1-(methoxymethyl)-2-methylcyclopentane (PubChem CID 67985968) has the molecular formula C8H16O and a molecular weight of 128.22 g/mol. Its IUPAC name is trans-(1S,2R)-1-(methoxymethyl)-2-methylcyclopentane.

Molecular Properties

Compound Nametrans-(1S,2R)-1-(methoxymethyl)-2-methylcyclopentane
PubChem CID67985968
Molecular FormulaC8H16O
Molecular Weight128.22 g/mol
Exact Mass128.12
IUPAC Nametrans-(1S,2R)-1-(methoxymethyl)-2-methylcyclopentane
SMILESCOC[C@H]1CCC[C@H]1C
InChIInChI=1S/C8H16O/c1-7-4-3-5-8(7)6-9-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1
InChIKeyNZTNVFHZVPBSDX-HTQZYQBOSA-N
XLogP2.07
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
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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Related Compounds

1,2-Dimethylcyclopentyl methyl ether
CID 59886932
3-Ethylheptyl 3-methylbutyl ether
CID 129658904
(3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane
CID 135037331
3-Methoxypropylcyclopentane
CID 10964623
2-Methoxyethylcyclopentane
CID 11789233
3-Butyloxolane
CID 12508251
1-(Methoxymethyl)-2-methylcyclopentane
CID 15570474
Ethoxymethylcyclopentane
CID 18726771
1-(Methoxymethyl)-2,3-dimethyl-4-propan-2-ylcyclopentane
CID 20662322
1,4-Diethyl-2-(methoxymethyl)cyclopentane
CID 20743800
1-(Methoxymethyl)-2,3,4-trimethylcyclopentane
CID 21019492
2-Propan-2-yloxyethylcyclopentane
CID 21068659

Frequently Asked Questions

What is the IUPAC name of trans-(1S,2R)-1-(methoxymethyl)-2-methylcyclopentane?
The IUPAC name of trans-(1S,2R)-1-(methoxymethyl)-2-methylcyclopentane (CID 67985968) is trans-(1S,2R)-1-(methoxymethyl)-2-methylcyclopentane.
What is the SMILES notation for trans-(1S,2R)-1-(methoxymethyl)-2-methylcyclopentane?
The canonical SMILES for trans-(1S,2R)-1-(methoxymethyl)-2-methylcyclopentane is COC[C@H]1CCC[C@H]1C.
What is the InChIKey of trans-(1S,2R)-1-(methoxymethyl)-2-methylcyclopentane?
The InChIKey is NZTNVFHZVPBSDX-HTQZYQBOSA-N. The full InChI is InChI=1S/C8H16O/c1-7-4-3-5-8(7)6-9-2/h7-8H,3-6H2,1-2H3/t7-,8-/m1/s1.
What are the key properties of trans-(1S,2R)-1-(methoxymethyl)-2-methylcyclopentane?
trans-(1S,2R)-1-(methoxymethyl)-2-methylcyclopentane has a molecular weight of 128.22 g/mol, XLogP of 2.07, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1S,2R)-1-(methoxymethyl)-2-methylcyclopentane is sourced from PubChem (CID 67985968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).