trans-(1R,3S)-1-(ethoxymethoxymethyl)-1-methyl-3-propan-2-ylcyclopentane

C13H26O2 — CID 68547829

IUPACtrans-(1R,3S)-1-(ethoxymethoxymethyl)-1-methyl-3-propan-2-ylcyclopentane
SMILESCCOCOC[C@]1(C)CC[C@H](C(C)C)C1
InChIInChI=1S/C13H26O2/c1-5-14-10-15-9-13(4)7-6-12(8-13)11(2)3/h11-12H,5-10H2,1-4H3/t12-,13+/m0/s1
InChIKeyZTHIFXQYIZFCMM-QWHCGFSZSA-N
MW214.35 g/mol
LogP3.46
Rot. Bonds6

About trans-(1R,3S)-1-(ethoxymethoxymethyl)-1-methyl-3-propan-2-ylcyclopentane

trans-(1R,3S)-1-(ethoxymethoxymethyl)-1-methyl-3-propan-2-ylcyclopentane (PubChem CID 68547829) has the molecular formula C13H26O2 and a molecular weight of 214.35 g/mol. Its IUPAC name is trans-(1R,3S)-1-(ethoxymethoxymethyl)-1-methyl-3-propan-2-ylcyclopentane.

Molecular Properties

Compound Nametrans-(1R,3S)-1-(ethoxymethoxymethyl)-1-methyl-3-propan-2-ylcyclopentane
PubChem CID68547829
Molecular FormulaC13H26O2
Molecular Weight214.35 g/mol
Exact Mass214.19
IUPAC Nametrans-(1R,3S)-1-(ethoxymethoxymethyl)-1-methyl-3-propan-2-ylcyclopentane
SMILESCCOCOC[C@]1(C)CC[C@H](C(C)C)C1
InChIInChI=1S/C13H26O2/c1-5-14-10-15-9-13(4)7-6-12(8-13)11(2)3/h11-12H,5-10H2,1-4H3/t12-,13+/m0/s1
InChIKeyZTHIFXQYIZFCMM-QWHCGFSZSA-N
XLogP3.46
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.35
LogP ≤ 53.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3S)-1-(ethoxymethoxymethyl)-1-methyl-3-propan-2-ylcyclopentane?
The IUPAC name of trans-(1R,3S)-1-(ethoxymethoxymethyl)-1-methyl-3-propan-2-ylcyclopentane (CID 68547829) is trans-(1R,3S)-1-(ethoxymethoxymethyl)-1-methyl-3-propan-2-ylcyclopentane.
What is the SMILES notation for trans-(1R,3S)-1-(ethoxymethoxymethyl)-1-methyl-3-propan-2-ylcyclopentane?
The canonical SMILES for trans-(1R,3S)-1-(ethoxymethoxymethyl)-1-methyl-3-propan-2-ylcyclopentane is CCOCOC[C@]1(C)CC[C@H](C(C)C)C1.
What is the InChIKey of trans-(1R,3S)-1-(ethoxymethoxymethyl)-1-methyl-3-propan-2-ylcyclopentane?
The InChIKey is ZTHIFXQYIZFCMM-QWHCGFSZSA-N. The full InChI is InChI=1S/C13H26O2/c1-5-14-10-15-9-13(4)7-6-12(8-13)11(2)3/h11-12H,5-10H2,1-4H3/t12-,13+/m0/s1.
What are the key properties of trans-(1R,3S)-1-(ethoxymethoxymethyl)-1-methyl-3-propan-2-ylcyclopentane?
trans-(1R,3S)-1-(ethoxymethoxymethyl)-1-methyl-3-propan-2-ylcyclopentane has a molecular weight of 214.35 g/mol, XLogP of 3.46, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3S)-1-(ethoxymethoxymethyl)-1-methyl-3-propan-2-ylcyclopentane is sourced from PubChem (CID 68547829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).