(3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane

C11H22O — CID 135037331

IUPAC(3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane
SMILESCOC[C@H]1CCC(C)(C)C1(C)C
InChIInChI=1S/C11H22O/c1-10(2)7-6-9(8-12-5)11(10,3)4/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyKALGJDVAPLREFT-SECBINFHSA-N
MW170.30 g/mol
LogP3.10
Rot. Bonds2

About (3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane

(3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane (PubChem CID 135037331) has the molecular formula C11H22O and a molecular weight of 170.30 g/mol. Its IUPAC name is (3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane.

Molecular Properties

Compound Name(3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane
PubChem CID135037331
Molecular FormulaC11H22O
Molecular Weight170.30 g/mol
Exact Mass170.17
IUPAC Name(3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane
SMILESCOC[C@H]1CCC(C)(C)C1(C)C
InChIInChI=1S/C11H22O/c1-10(2)7-6-9(8-12-5)11(10,3)4/h9H,6-8H2,1-5H3/t9-/m1/s1
InChIKeyKALGJDVAPLREFT-SECBINFHSA-N
XLogP3.10
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500170.30
LogP ≤ 53.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane?
The IUPAC name of (3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane (CID 135037331) is (3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane.
What is the SMILES notation for (3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane?
The canonical SMILES for (3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane is COC[C@H]1CCC(C)(C)C1(C)C.
What is the InChIKey of (3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane?
The InChIKey is KALGJDVAPLREFT-SECBINFHSA-N. The full InChI is InChI=1S/C11H22O/c1-10(2)7-6-9(8-12-5)11(10,3)4/h9H,6-8H2,1-5H3/t9-/m1/s1.
What are the key properties of (3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane?
(3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane has a molecular weight of 170.30 g/mol, XLogP of 3.10, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(methoxymethyl)-1,1,2,2-tetramethylcyclopentane is sourced from PubChem (CID 135037331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).