trans-(1R,3R)-1-[2-(2-methoxyethoxymethoxy)ethyl]-1-methyl-2-methylidene-3-propan-2-ylcyclopentane

C16H30O3 — CID 134963356

IUPACtrans-(1R,3R)-1-[2-(2-methoxyethoxymethoxy)ethyl]-1-methyl-2-methylidene-3-propan-2-ylcyclopentane
SMILESC=C1[C@@H](C(C)C)CC[C@]1(C)CCOCOCCOC
InChIInChI=1S/C16H30O3/c1-13(2)15-6-7-16(4,14(15)3)8-9-18-12-19-11-10-17-5/h13,15H,3,6-12H2,1-2,4-5H3/t15-,16-/m1/s1
InChIKeyWWRQBLCQJOYWMX-HZPDHXFCSA-N
MW270.41 g/mol
LogP3.64
Rot. Bonds9

About trans-(1R,3R)-1-[2-(2-methoxyethoxymethoxy)ethyl]-1-methyl-2-methylidene-3-propan-2-ylcyclopentane

trans-(1R,3R)-1-[2-(2-methoxyethoxymethoxy)ethyl]-1-methyl-2-methylidene-3-propan-2-ylcyclopentane (PubChem CID 134963356) has the molecular formula C16H30O3 and a molecular weight of 270.41 g/mol. Its IUPAC name is trans-(1R,3R)-1-[2-(2-methoxyethoxymethoxy)ethyl]-1-methyl-2-methylidene-3-propan-2-ylcyclopentane.

Molecular Properties

Compound Nametrans-(1R,3R)-1-[2-(2-methoxyethoxymethoxy)ethyl]-1-methyl-2-methylidene-3-propan-2-ylcyclopentane
PubChem CID134963356
Molecular FormulaC16H30O3
Molecular Weight270.41 g/mol
Exact Mass270.22
IUPAC Nametrans-(1R,3R)-1-[2-(2-methoxyethoxymethoxy)ethyl]-1-methyl-2-methylidene-3-propan-2-ylcyclopentane
SMILESC=C1[C@@H](C(C)C)CC[C@]1(C)CCOCOCCOC
InChIInChI=1S/C16H30O3/c1-13(2)15-6-7-16(4,14(15)3)8-9-18-12-19-11-10-17-5/h13,15H,3,6-12H2,1-2,4-5H3/t15-,16-/m1/s1
InChIKeyWWRQBLCQJOYWMX-HZPDHXFCSA-N
XLogP3.64
TPSA27.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.41
LogP ≤ 53.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of trans-(1R,3R)-1-[2-(2-methoxyethoxymethoxy)ethyl]-1-methyl-2-methylidene-3-propan-2-ylcyclopentane?
The IUPAC name of trans-(1R,3R)-1-[2-(2-methoxyethoxymethoxy)ethyl]-1-methyl-2-methylidene-3-propan-2-ylcyclopentane (CID 134963356) is trans-(1R,3R)-1-[2-(2-methoxyethoxymethoxy)ethyl]-1-methyl-2-methylidene-3-propan-2-ylcyclopentane.
What is the SMILES notation for trans-(1R,3R)-1-[2-(2-methoxyethoxymethoxy)ethyl]-1-methyl-2-methylidene-3-propan-2-ylcyclopentane?
The canonical SMILES for trans-(1R,3R)-1-[2-(2-methoxyethoxymethoxy)ethyl]-1-methyl-2-methylidene-3-propan-2-ylcyclopentane is C=C1[C@@H](C(C)C)CC[C@]1(C)CCOCOCCOC.
What is the InChIKey of trans-(1R,3R)-1-[2-(2-methoxyethoxymethoxy)ethyl]-1-methyl-2-methylidene-3-propan-2-ylcyclopentane?
The InChIKey is WWRQBLCQJOYWMX-HZPDHXFCSA-N. The full InChI is InChI=1S/C16H30O3/c1-13(2)15-6-7-16(4,14(15)3)8-9-18-12-19-11-10-17-5/h13,15H,3,6-12H2,1-2,4-5H3/t15-,16-/m1/s1.
What are the key properties of trans-(1R,3R)-1-[2-(2-methoxyethoxymethoxy)ethyl]-1-methyl-2-methylidene-3-propan-2-ylcyclopentane?
trans-(1R,3R)-1-[2-(2-methoxyethoxymethoxy)ethyl]-1-methyl-2-methylidene-3-propan-2-ylcyclopentane has a molecular weight of 270.41 g/mol, XLogP of 3.64, 9 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for trans-(1R,3R)-1-[2-(2-methoxyethoxymethoxy)ethyl]-1-methyl-2-methylidene-3-propan-2-ylcyclopentane is sourced from PubChem (CID 134963356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).