1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran

C15H18O — CID 163104060

IUPAC1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran
SMILESC=C1C=C2c3c(C)coc3CC(C)C2CC1
InChIInChI=1S/C15H18O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h6,8,10,12H,1,4-5,7H2,2-3H3
InChIKeyFWAMSVJFINPKEF-UHFFFAOYSA-N
MW214.31 g/mol
LogP4.13
Rot. Bonds

About 1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran

1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran (PubChem CID 163104060) has the molecular formula C15H18O and a molecular weight of 214.31 g/mol. Its IUPAC name is 1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran.

Molecular Properties

Compound Name1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran
PubChem CID163104060
Molecular FormulaC15H18O
Molecular Weight214.31 g/mol
Exact Mass214.14
IUPAC Name1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran
SMILESC=C1C=C2c3c(C)coc3CC(C)C2CC1
InChIInChI=1S/C15H18O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h6,8,10,12H,1,4-5,7H2,2-3H3
InChIKeyFWAMSVJFINPKEF-UHFFFAOYSA-N
XLogP4.13
TPSA13.14 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500214.31
LogP ≤ 54.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran?
The IUPAC name of 1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran (CID 163104060) is 1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran.
What is the SMILES notation for 1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran?
The canonical SMILES for 1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran is C=C1C=C2c3c(C)coc3CC(C)C2CC1.
What is the InChIKey of 1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran?
The InChIKey is FWAMSVJFINPKEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O/c1-9-4-5-12-10(2)7-14-15(13(12)6-9)11(3)8-16-14/h6,8,10,12H,1,4-5,7H2,2-3H3.
What are the key properties of 1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran?
1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran has a molecular weight of 214.31 g/mol, XLogP of 4.13, 0 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,5-dimethyl-8-methylidene-5,5a,6,7-tetrahydro-4H-benzo[e][1]benzofuran is sourced from PubChem (CID 163104060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).