5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran

C15H24O — CID 70837503

IUPAC5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran
SMILESCCC1C[C@H]1C1=C(C)CC2OC(C)CC2C1
InChIInChI=1S/C15H24O/c1-4-11-7-14(11)13-8-12-6-10(3)16-15(12)5-9(13)2/h10-12,14-15H,4-8H2,1-3H3/t10?,11?,12?,14-,15?/m1/s1
InChIKeyQKEIIASQBCWPQQ-WINGCZCQSA-N
MW220.36 g/mol
LogP3.94
Rot. Bonds2

About 5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran

5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran (PubChem CID 70837503) has the molecular formula C15H24O and a molecular weight of 220.36 g/mol. Its IUPAC name is 5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran.

Molecular Properties

Compound Name5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran
PubChem CID70837503
Molecular FormulaC15H24O
Molecular Weight220.36 g/mol
Exact Mass220.18
IUPAC Name5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran
SMILESCCC1C[C@H]1C1=C(C)CC2OC(C)CC2C1
InChIInChI=1S/C15H24O/c1-4-11-7-14(11)13-8-12-6-10(3)16-15(12)5-9(13)2/h10-12,14-15H,4-8H2,1-3H3/t10?,11?,12?,14-,15?/m1/s1
InChIKeyQKEIIASQBCWPQQ-WINGCZCQSA-N
XLogP3.94
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.36
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran?
The IUPAC name of 5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran (CID 70837503) is 5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran.
What is the SMILES notation for 5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran?
The canonical SMILES for 5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran is CCC1C[C@H]1C1=C(C)CC2OC(C)CC2C1.
What is the InChIKey of 5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran?
The InChIKey is QKEIIASQBCWPQQ-WINGCZCQSA-N. The full InChI is InChI=1S/C15H24O/c1-4-11-7-14(11)13-8-12-6-10(3)16-15(12)5-9(13)2/h10-12,14-15H,4-8H2,1-3H3/t10?,11?,12?,14-,15?/m1/s1.
What are the key properties of 5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran?
5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran has a molecular weight of 220.36 g/mol, XLogP of 3.94, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(1R)-2-ethylcyclopropyl]-2,6-dimethyl-2,3,3a,4,7,7a-hexahydro-1-benzofuran is sourced from PubChem (CID 70837503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).