(6E)-5,7-dimethylidene-6-prop-2-enylidene-8,9-dihydrobenzo[7]annulene

C16H16 — CID 143248434

IUPAC(6E)-5,7-dimethylidene-6-prop-2-enylidene-8,9-dihydrobenzo[7]annulene
SMILESC=C/C=C1\C(=C)CCc2ccccc2C1=C
InChIInChI=1S/C16H16/c1-4-7-15-12(2)10-11-14-8-5-6-9-16(14)13(15)3/h4-9H,1-3,10-11H2/b15-7+
InChIKeyXWCAFFYRBDKZLU-VIZOYTHASA-N
MW208.30 g/mol
LogP4.31
Rot. Bonds1

About (6E)-5,7-dimethylidene-6-prop-2-enylidene-8,9-dihydrobenzo[7]annulene

(6E)-5,7-dimethylidene-6-prop-2-enylidene-8,9-dihydrobenzo[7]annulene (PubChem CID 143248434) has the molecular formula C16H16 and a molecular weight of 208.30 g/mol. Its IUPAC name is (6E)-5,7-dimethylidene-6-prop-2-enylidene-8,9-dihydrobenzo[7]annulene.

Molecular Properties

Compound Name(6E)-5,7-dimethylidene-6-prop-2-enylidene-8,9-dihydrobenzo[7]annulene
PubChem CID143248434
Molecular FormulaC16H16
Molecular Weight208.30 g/mol
Exact Mass208.13
IUPAC Name(6E)-5,7-dimethylidene-6-prop-2-enylidene-8,9-dihydrobenzo[7]annulene
SMILESC=C/C=C1\C(=C)CCc2ccccc2C1=C
InChIInChI=1S/C16H16/c1-4-7-15-12(2)10-11-14-8-5-6-9-16(14)13(15)3/h4-9H,1-3,10-11H2/b15-7+
InChIKeyXWCAFFYRBDKZLU-VIZOYTHASA-N
XLogP4.31
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.30
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of (6E)-5,7-dimethylidene-6-prop-2-enylidene-8,9-dihydrobenzo[7]annulene?
The IUPAC name of (6E)-5,7-dimethylidene-6-prop-2-enylidene-8,9-dihydrobenzo[7]annulene (CID 143248434) is (6E)-5,7-dimethylidene-6-prop-2-enylidene-8,9-dihydrobenzo[7]annulene.
What is the SMILES notation for (6E)-5,7-dimethylidene-6-prop-2-enylidene-8,9-dihydrobenzo[7]annulene?
The canonical SMILES for (6E)-5,7-dimethylidene-6-prop-2-enylidene-8,9-dihydrobenzo[7]annulene is C=C/C=C1\C(=C)CCc2ccccc2C1=C.
What is the InChIKey of (6E)-5,7-dimethylidene-6-prop-2-enylidene-8,9-dihydrobenzo[7]annulene?
The InChIKey is XWCAFFYRBDKZLU-VIZOYTHASA-N. The full InChI is InChI=1S/C16H16/c1-4-7-15-12(2)10-11-14-8-5-6-9-16(14)13(15)3/h4-9H,1-3,10-11H2/b15-7+.
What are the key properties of (6E)-5,7-dimethylidene-6-prop-2-enylidene-8,9-dihydrobenzo[7]annulene?
(6E)-5,7-dimethylidene-6-prop-2-enylidene-8,9-dihydrobenzo[7]annulene has a molecular weight of 208.30 g/mol, XLogP of 4.31, 1 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6E)-5,7-dimethylidene-6-prop-2-enylidene-8,9-dihydrobenzo[7]annulene is sourced from PubChem (CID 143248434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).