6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan

C16H28O2 — CID 69015950

IUPAC6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
SMILESCCC(C)OC12CCCC1(C1CCCC1)CCO2
InChIInChI=1S/C16H28O2/c1-3-13(2)18-16-10-6-9-15(16,11-12-17-16)14-7-4-5-8-14/h13-14H,3-12H2,1-2H3
InChIKeyLSYFLDCCJAQWJT-UHFFFAOYSA-N
MW252.40 g/mol
LogP4.28
Rot. Bonds4

About 6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan

6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan (PubChem CID 69015950) has the molecular formula C16H28O2 and a molecular weight of 252.40 g/mol. Its IUPAC name is 6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
PubChem CID69015950
Molecular FormulaC16H28O2
Molecular Weight252.40 g/mol
Exact Mass252.21
IUPAC Name6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan
SMILESCCC(C)OC12CCCC1(C1CCCC1)CCO2
InChIInChI=1S/C16H28O2/c1-3-13(2)18-16-10-6-9-15(16,11-12-17-16)14-7-4-5-8-14/h13-14H,3-12H2,1-2H3
InChIKeyLSYFLDCCJAQWJT-UHFFFAOYSA-N
XLogP4.28
TPSA18.46 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.40
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The IUPAC name of 6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan (CID 69015950) is 6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for 6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The canonical SMILES for 6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan is CCC(C)OC12CCCC1(C1CCCC1)CCO2.
What is the InChIKey of 6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
The InChIKey is LSYFLDCCJAQWJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28O2/c1-3-13(2)18-16-10-6-9-15(16,11-12-17-16)14-7-4-5-8-14/h13-14H,3-12H2,1-2H3.
What are the key properties of 6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan?
6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan has a molecular weight of 252.40 g/mol, XLogP of 4.28, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-butan-2-yloxy-3a-cyclopentyl-3,4,5,6-tetrahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 69015950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).