4,4,6b-trimethyl-2-prop-1-en-2-yl-5,5a,6,6a-tetrahydro-2H-cyclopropa[g][1]benzofuran

C15H22O — CID 608879

IUPAC4,4,6b-trimethyl-2-prop-1-en-2-yl-5,5a,6,6a-tetrahydro-2H-cyclopropa[g][1]benzofuran
SMILESC=C(C)C1C=C2C(C)(C)CC3CC3C2(C)O1
InChIInChI=1S/C15H22O/c1-9(2)12-7-13-14(3,4)8-10-6-11(10)15(13,5)16-12/h7,10-12H,1,6,8H2,2-5H3
InChIKeySJTHETFPSIDLEK-UHFFFAOYSA-N
MW218.34 g/mol
LogP3.71
Rot. Bonds1

About 4,4,6b-trimethyl-2-prop-1-en-2-yl-5,5a,6,6a-tetrahydro-2H-cyclopropa[g][1]benzofuran

4,4,6b-trimethyl-2-prop-1-en-2-yl-5,5a,6,6a-tetrahydro-2H-cyclopropa[g][1]benzofuran (PubChem CID 608879) has the molecular formula C15H22O and a molecular weight of 218.34 g/mol. Its IUPAC name is 4,4,6b-trimethyl-2-prop-1-en-2-yl-5,5a,6,6a-tetrahydro-2H-cyclopropa[g][1]benzofuran.

Molecular Properties

Compound Name4,4,6b-trimethyl-2-prop-1-en-2-yl-5,5a,6,6a-tetrahydro-2H-cyclopropa[g][1]benzofuran
PubChem CID608879
Molecular FormulaC15H22O
Molecular Weight218.34 g/mol
Exact Mass218.17
IUPAC Name4,4,6b-trimethyl-2-prop-1-en-2-yl-5,5a,6,6a-tetrahydro-2H-cyclopropa[g][1]benzofuran
SMILESC=C(C)C1C=C2C(C)(C)CC3CC3C2(C)O1
InChIInChI=1S/C15H22O/c1-9(2)12-7-13-14(3,4)8-10-6-11(10)15(13,5)16-12/h7,10-12H,1,6,8H2,2-5H3
InChIKeySJTHETFPSIDLEK-UHFFFAOYSA-N
XLogP3.71
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.34
LogP ≤ 53.71
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 4,4,6b-trimethyl-2-prop-1-en-2-yl-5,5a,6,6a-tetrahydro-2H-cyclopropa[g][1]benzofuran?
The IUPAC name of 4,4,6b-trimethyl-2-prop-1-en-2-yl-5,5a,6,6a-tetrahydro-2H-cyclopropa[g][1]benzofuran (CID 608879) is 4,4,6b-trimethyl-2-prop-1-en-2-yl-5,5a,6,6a-tetrahydro-2H-cyclopropa[g][1]benzofuran.
What is the SMILES notation for 4,4,6b-trimethyl-2-prop-1-en-2-yl-5,5a,6,6a-tetrahydro-2H-cyclopropa[g][1]benzofuran?
The canonical SMILES for 4,4,6b-trimethyl-2-prop-1-en-2-yl-5,5a,6,6a-tetrahydro-2H-cyclopropa[g][1]benzofuran is C=C(C)C1C=C2C(C)(C)CC3CC3C2(C)O1.
What is the InChIKey of 4,4,6b-trimethyl-2-prop-1-en-2-yl-5,5a,6,6a-tetrahydro-2H-cyclopropa[g][1]benzofuran?
The InChIKey is SJTHETFPSIDLEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22O/c1-9(2)12-7-13-14(3,4)8-10-6-11(10)15(13,5)16-12/h7,10-12H,1,6,8H2,2-5H3.
What are the key properties of 4,4,6b-trimethyl-2-prop-1-en-2-yl-5,5a,6,6a-tetrahydro-2H-cyclopropa[g][1]benzofuran?
4,4,6b-trimethyl-2-prop-1-en-2-yl-5,5a,6,6a-tetrahydro-2H-cyclopropa[g][1]benzofuran has a molecular weight of 218.34 g/mol, XLogP of 3.71, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4,6b-trimethyl-2-prop-1-en-2-yl-5,5a,6,6a-tetrahydro-2H-cyclopropa[g][1]benzofuran is sourced from PubChem (CID 608879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).