1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan

C20H26O — CID 54402835

IUPAC1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan
SMILESC=C(C)C1=CC(C(=C)C)=CC2=C(C=C1)C(C)(C)OC2(C)C
InChIInChI=1S/C20H26O/c1-13(2)15-9-10-17-18(12-16(11-15)14(3)4)20(7,8)21-19(17,5)6/h9-12H,1,3H2,2,4-8H3
InChIKeyVOQKAVBJZBPMOF-UHFFFAOYSA-N
MW282.43 g/mol
LogP5.45
Rot. Bonds2

About 1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan

1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan (PubChem CID 54402835) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is 1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan.

Molecular Properties

Compound Name1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan
PubChem CID54402835
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan
SMILESC=C(C)C1=CC(C(=C)C)=CC2=C(C=C1)C(C)(C)OC2(C)C
InChIInChI=1S/C20H26O/c1-13(2)15-9-10-17-18(12-16(11-15)14(3)4)20(7,8)21-19(17,5)6/h9-12H,1,3H2,2,4-8H3
InChIKeyVOQKAVBJZBPMOF-UHFFFAOYSA-N
XLogP5.45
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.43
LogP ≤ 55.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan?
The IUPAC name of 1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan (CID 54402835) is 1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan.
What is the SMILES notation for 1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan?
The canonical SMILES for 1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan is C=C(C)C1=CC(C(=C)C)=CC2=C(C=C1)C(C)(C)OC2(C)C.
What is the InChIKey of 1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan?
The InChIKey is VOQKAVBJZBPMOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26O/c1-13(2)15-9-10-17-18(12-16(11-15)14(3)4)20(7,8)21-19(17,5)6/h9-12H,1,3H2,2,4-8H3.
What are the key properties of 1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan?
1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan has a molecular weight of 282.43 g/mol, XLogP of 5.45, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan is sourced from PubChem (CID 54402835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).