3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan

C14H24O — CID 54070810

IUPAC3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
SMILESCCC=CC1OCC2(C)CCC(C)(C)C12
InChIInChI=1S/C14H24O/c1-5-6-7-11-12-13(2,3)8-9-14(12,4)10-15-11/h6-7,11-12H,5,8-10H2,1-4H3
InChIKeyMGHNRDOIRSAFPL-UHFFFAOYSA-N
MW208.34 g/mol
LogP3.79
Rot. Bonds2

About 3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan

3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan (PubChem CID 54070810) has the molecular formula C14H24O and a molecular weight of 208.34 g/mol. Its IUPAC name is 3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan.

Molecular Properties

Compound Name3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
PubChem CID54070810
Molecular FormulaC14H24O
Molecular Weight208.34 g/mol
Exact Mass208.18
IUPAC Name3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan
SMILESCCC=CC1OCC2(C)CCC(C)(C)C12
InChIInChI=1S/C14H24O/c1-5-6-7-11-12-13(2,3)8-9-14(12,4)10-15-11/h6-7,11-12H,5,8-10H2,1-4H3
InChIKeyMGHNRDOIRSAFPL-UHFFFAOYSA-N
XLogP3.79
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.34
LogP ≤ 53.79
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 3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan?
The IUPAC name of 3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan (CID 54070810) is 3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan.
What is the SMILES notation for 3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan?
The canonical SMILES for 3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan is CCC=CC1OCC2(C)CCC(C)(C)C12.
What is the InChIKey of 3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan?
The InChIKey is MGHNRDOIRSAFPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24O/c1-5-6-7-11-12-13(2,3)8-9-14(12,4)10-15-11/h6-7,11-12H,5,8-10H2,1-4H3.
What are the key properties of 3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan?
3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan has a molecular weight of 208.34 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 3-but-1-enyl-4,4,6a-trimethyl-3,3a,5,6-tetrahydro-1H-cyclopenta[c]furan is sourced from PubChem (CID 54070810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).