4,4,5-trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan

C10H18O — CID 58645272

IUPAC4,4,5-trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan
SMILESCC1CC2OCCC2C1(C)C
InChIInChI=1S/C10H18O/c1-7-6-9-8(4-5-11-9)10(7,2)3/h7-9H,4-6H2,1-3H3
InChIKeyYLFHYDVGSVLESG-UHFFFAOYSA-N
MW154.25 g/mol
LogP2.46
Rot. Bonds

About 4,4,5-trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan

4,4,5-trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan (PubChem CID 58645272) has the molecular formula C10H18O and a molecular weight of 154.25 g/mol. Its IUPAC name is 4,4,5-trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan.

Molecular Properties

Compound Name4,4,5-trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan
PubChem CID58645272
Molecular FormulaC10H18O
Molecular Weight154.25 g/mol
Exact Mass154.14
IUPAC Name4,4,5-trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan
SMILESCC1CC2OCCC2C1(C)C
InChIInChI=1S/C10H18O/c1-7-6-9-8(4-5-11-9)10(7,2)3/h7-9H,4-6H2,1-3H3
InChIKeyYLFHYDVGSVLESG-UHFFFAOYSA-N
XLogP2.46
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.25
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,5-trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan?
The IUPAC name of 4,4,5-trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan (CID 58645272) is 4,4,5-trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan.
What is the SMILES notation for 4,4,5-trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan?
The canonical SMILES for 4,4,5-trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan is CC1CC2OCCC2C1(C)C.
What is the InChIKey of 4,4,5-trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan?
The InChIKey is YLFHYDVGSVLESG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18O/c1-7-6-9-8(4-5-11-9)10(7,2)3/h7-9H,4-6H2,1-3H3.
What are the key properties of 4,4,5-trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan?
4,4,5-trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan has a molecular weight of 154.25 g/mol, XLogP of 2.46, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,5-trimethyl-2,3,3a,5,6,6a-hexahydrocyclopenta[b]furan is sourced from PubChem (CID 58645272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).