4,4,6,6-tetramethyl-3,3a,5,6a-tetrahydro-2H-cyclopenta[b]furan

C11H20O — CID 89087421

IUPAC4,4,6,6-tetramethyl-3,3a,5,6a-tetrahydro-2H-cyclopenta[b]furan
SMILESCC1(C)CC(C)(C)C2OCCC21
InChIInChI=1S/C11H20O/c1-10(2)7-11(3,4)9-8(10)5-6-12-9/h8-9H,5-7H2,1-4H3
InChIKeyYKKYSYSBBLNZAL-UHFFFAOYSA-N
MW168.28 g/mol
LogP2.85
Rot. Bonds

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

4,4,6,6-tetramethyl-3,3a,5,6a-tetrahydro-2H-cyclopenta[b]furan (PubChem CID 89087421) has the molecular formula C11H20O and a molecular weight of 168.28 g/mol. Its IUPAC name is 4,4,6,6-tetramethyl-3,3a,5,6a-tetrahydro-2H-cyclopenta[b]furan.

Molecular Properties

Compound Name4,4,6,6-tetramethyl-3,3a,5,6a-tetrahydro-2H-cyclopenta[b]furan
PubChem CID89087421
Molecular FormulaC11H20O
Molecular Weight168.28 g/mol
Exact Mass168.15
IUPAC Name4,4,6,6-tetramethyl-3,3a,5,6a-tetrahydro-2H-cyclopenta[b]furan
SMILESCC1(C)CC(C)(C)C2OCCC21
InChIInChI=1S/C11H20O/c1-10(2)7-11(3,4)9-8(10)5-6-12-9/h8-9H,5-7H2,1-4H3
InChIKeyYKKYSYSBBLNZAL-UHFFFAOYSA-N
XLogP2.85
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.28
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 4,4,6,6-tetramethyl-3,3a,5,6a-tetrahydro-2H-cyclopenta[b]furan?
The IUPAC name of 4,4,6,6-tetramethyl-3,3a,5,6a-tetrahydro-2H-cyclopenta[b]furan (CID 89087421) is 4,4,6,6-tetramethyl-3,3a,5,6a-tetrahydro-2H-cyclopenta[b]furan.
What is the SMILES notation for 4,4,6,6-tetramethyl-3,3a,5,6a-tetrahydro-2H-cyclopenta[b]furan?
The canonical SMILES for 4,4,6,6-tetramethyl-3,3a,5,6a-tetrahydro-2H-cyclopenta[b]furan is CC1(C)CC(C)(C)C2OCCC21.
What is the InChIKey of 4,4,6,6-tetramethyl-3,3a,5,6a-tetrahydro-2H-cyclopenta[b]furan?
The InChIKey is YKKYSYSBBLNZAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20O/c1-10(2)7-11(3,4)9-8(10)5-6-12-9/h8-9H,5-7H2,1-4H3.
What are the key properties of 4,4,6,6-tetramethyl-3,3a,5,6a-tetrahydro-2H-cyclopenta[b]furan?
4,4,6,6-tetramethyl-3,3a,5,6a-tetrahydro-2H-cyclopenta[b]furan has a molecular weight of 168.28 g/mol, XLogP of 2.85, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6,6-tetramethyl-3,3a,5,6a-tetrahydro-2H-cyclopenta[b]furan is sourced from PubChem (CID 89087421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).