5-[(1S)-1-ethoxyethoxy]-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene

C14H20O2 — CID 54050632

IUPAC5-[(1S)-1-ethoxyethoxy]-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene
SMILESC#CCC1=C(C)C(O[C@@H](C)OCC)CC1=C
InChIInChI=1S/C14H20O2/c1-6-8-13-10(3)9-14(11(13)4)16-12(5)15-7-2/h1,12,14H,3,7-9H2,2,4-5H3/t12-,14?/m0/s1
InChIKeyLSPYHFJBNBJITA-NBFOIZRFSA-N
MW220.31 g/mol
LogP3.05
Rot. Bonds5

About 5-[(1S)-1-ethoxyethoxy]-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene

5-[(1S)-1-ethoxyethoxy]-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene (PubChem CID 54050632) has the molecular formula C14H20O2 and a molecular weight of 220.31 g/mol. Its IUPAC name is 5-[(1S)-1-ethoxyethoxy]-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene.

Molecular Properties

Compound Name5-[(1S)-1-ethoxyethoxy]-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene
PubChem CID54050632
Molecular FormulaC14H20O2
Molecular Weight220.31 g/mol
Exact Mass220.15
IUPAC Name5-[(1S)-1-ethoxyethoxy]-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene
SMILESC#CCC1=C(C)C(O[C@@H](C)OCC)CC1=C
InChIInChI=1S/C14H20O2/c1-6-8-13-10(3)9-14(11(13)4)16-12(5)15-7-2/h1,12,14H,3,7-9H2,2,4-5H3/t12-,14?/m0/s1
InChIKeyLSPYHFJBNBJITA-NBFOIZRFSA-N
XLogP3.05
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.31
LogP ≤ 53.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-[(1S)-1-ethoxyethoxy]-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene?
The IUPAC name of 5-[(1S)-1-ethoxyethoxy]-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene (CID 54050632) is 5-[(1S)-1-ethoxyethoxy]-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene.
What is the SMILES notation for 5-[(1S)-1-ethoxyethoxy]-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene?
The canonical SMILES for 5-[(1S)-1-ethoxyethoxy]-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene is C#CCC1=C(C)C(O[C@@H](C)OCC)CC1=C.
What is the InChIKey of 5-[(1S)-1-ethoxyethoxy]-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene?
The InChIKey is LSPYHFJBNBJITA-NBFOIZRFSA-N. The full InChI is InChI=1S/C14H20O2/c1-6-8-13-10(3)9-14(11(13)4)16-12(5)15-7-2/h1,12,14H,3,7-9H2,2,4-5H3/t12-,14?/m0/s1.
What are the key properties of 5-[(1S)-1-ethoxyethoxy]-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene?
5-[(1S)-1-ethoxyethoxy]-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene has a molecular weight of 220.31 g/mol, XLogP of 3.05, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1S)-1-ethoxyethoxy]-1-methyl-3-methylidene-2-prop-2-ynylcyclopentene is sourced from PubChem (CID 54050632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).