(6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene

C16H18 — CID 142604744

IUPAC(6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene
SMILESC=C1/C=C\C(C)=C/C(C)(C)c2ccccc21
InChIInChI=1S/C16H18/c1-12-9-10-13(2)14-7-5-6-8-15(14)16(3,4)11-12/h5-11H,2H2,1,3-4H3/b10-9-,12-11-
InChIKeyVSEXXJVMOIYBDQ-BASFJDSNSA-N
MW210.32 g/mol
LogP4.49
Rot. Bonds

About (6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene

(6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene (PubChem CID 142604744) has the molecular formula C16H18 and a molecular weight of 210.32 g/mol. Its IUPAC name is (6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene.

Molecular Properties

Compound Name(6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene
PubChem CID142604744
Molecular FormulaC16H18
Molecular Weight210.32 g/mol
Exact Mass210.14
IUPAC Name(6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene
SMILESC=C1/C=C\C(C)=C/C(C)(C)c2ccccc21
InChIInChI=1S/C16H18/c1-12-9-10-13(2)14-7-5-6-8-15(14)16(3,4)11-12/h5-11H,2H2,1,3-4H3/b10-9-,12-11-
InChIKeyVSEXXJVMOIYBDQ-BASFJDSNSA-N
XLogP4.49
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.32
LogP ≤ 54.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Related Compounds

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3-[(E)-but-2-enyl]-1,1-dimethylindene
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3-methylspiro[azirine-2,9'-fluorene]
CID 13480601
1-(1,3-dimethylinden-1-yl)ethanone
CID 12609224
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CID 164528811

Frequently Asked Questions

What is the IUPAC name of (6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene?
The IUPAC name of (6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene (CID 142604744) is (6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene.
What is the SMILES notation for (6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene?
The canonical SMILES for (6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene is C=C1/C=C\C(C)=C/C(C)(C)c2ccccc21.
What is the InChIKey of (6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene?
The InChIKey is VSEXXJVMOIYBDQ-BASFJDSNSA-N. The full InChI is InChI=1S/C16H18/c1-12-9-10-13(2)14-7-5-6-8-15(14)16(3,4)11-12/h5-11H,2H2,1,3-4H3/b10-9-,12-11-.
What are the key properties of (6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene?
(6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene has a molecular weight of 210.32 g/mol, XLogP of 4.49, 0 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (6Z,8Z)-5,5,7-trimethyl-10-methylidenebenzo[8]annulene is sourced from PubChem (CID 142604744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).