(4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan

C20H26O — CID 23636914

IUPAC(4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan
SMILESC=C(C)C1=C/C(C(=C)C)=C\C2=C(\C=C/1)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/b10-9-,15-9+,15-11+,16-11+,16-12+,17-10+,18-12+
InChIKeyVOQKAVBJZBPMOF-QTEHWUESSA-N
MW282.43 g/mol
LogP5.45
Rot. Bonds2

About (4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan

(4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan (PubChem CID 23636914) has the molecular formula C20H26O and a molecular weight of 282.43 g/mol. Its IUPAC name is (4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan.

Molecular Properties

Compound Name(4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan
PubChem CID23636914
Molecular FormulaC20H26O
Molecular Weight282.43 g/mol
Exact Mass282.20
IUPAC Name(4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan
SMILESC=C(C)C1=C/C(C(=C)C)=C\C2=C(\C=C/1)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/b10-9-,15-9+,15-11+,16-11+,16-12+,17-10+,18-12+
InChIKeyVOQKAVBJZBPMOF-QTEHWUESSA-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

Analyze (4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan with MolForge

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Related Compounds

1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan
CID 54402835
2-prop-1-en-2-yl-5H-indene
CID 135556108
2-(6-methylidene-4-prop-1-en-2-ylcyclohexa-2,4-dien-1-yl)ethanol
CID 123281218
2,2,5,5-tetramethyl-4-propan-2-ylidene-1,3-oxathiolane
CID 13332043
1-(5,5-dimethylcyclohepta-1,3,6-trien-1-yl)ethenamine
CID 170198624
1,6-dimethyl-3-prop-1-en-2-ylcyclohexa-1,3-diene;ethane
CID 156650875
2,2,4-trimethyl-3-methylidene-1,4-oxazine
CID 59815580
tri(propan-2-yl)-(4-prop-1-en-2-ylphenoxy)silane
CID 134843819
5-iodo-1,1,3,3-tetramethyl-2-benzofuran
CID 176929378
molecular hydrogen;9-prop-1-en-2-yl-1,5-diazatricyclo[4.4.0.02,4]deca-5,7,9-triene
CID 145472181
2-methyl-2-(4-prop-1-en-2-ylphenoxy)oxane
CID 139750651
3-methyl-5-phenyl-3-prop-1-en-2-yl-5-(trifluoromethyl)-1,2,4-trioxolane
CID 10683697

Frequently Asked Questions

What is the IUPAC name of (4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan?
The IUPAC name of (4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan (CID 23636914) is (4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan.
What is the SMILES notation for (4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan?
The canonical SMILES for (4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan is C=C(C)C1=C/C(C(=C)C)=C\C2=C(\C=C/1)C(C)(C)OC2(C)C.
What is the InChIKey of (4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan?
The InChIKey is VOQKAVBJZBPMOF-QTEHWUESSA-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/b10-9-,15-9+,15-11+,16-11+,16-12+,17-10+,18-12+.
What are the key properties of (4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan?
(4Z,6E,8E)-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 (4Z,6E,8E)-1,1,3,3-tetramethyl-6,8-bis(prop-1-en-2-yl)cycloocta[c]furan is sourced from PubChem (CID 23636914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).