(8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene

C16H20O — CID 173213706

IUPAC(8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene
SMILESCOC=C1C/C=C\CCCc2ccccc2C1
InChIInChI=1S/C16H20O/c1-17-13-14-8-4-2-3-5-9-15-10-6-7-11-16(15)12-14/h2,4,6-7,10-11,13H,3,5,8-9,12H2,1H3/b4-2-,14-13?
InChIKeyTUCKFOLVIVLDAL-HXIVJMAJSA-N
MW228.34 g/mol
LogP4.04
Rot. Bonds1

About (8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene

(8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene (PubChem CID 173213706) has the molecular formula C16H20O and a molecular weight of 228.34 g/mol. Its IUPAC name is (8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene.

Molecular Properties

Compound Name(8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene
PubChem CID173213706
Molecular FormulaC16H20O
Molecular Weight228.34 g/mol
Exact Mass228.15
IUPAC Name(8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene
SMILESCOC=C1C/C=C\CCCc2ccccc2C1
InChIInChI=1S/C16H20O/c1-17-13-14-8-4-2-3-5-9-15-10-6-7-11-16(15)12-14/h2,4,6-7,10-11,13H,3,5,8-9,12H2,1H3/b4-2-,14-13?
InChIKeyTUCKFOLVIVLDAL-HXIVJMAJSA-N
XLogP4.04
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.34
LogP ≤ 54.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene?
The IUPAC name of (8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene (CID 173213706) is (8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene.
What is the SMILES notation for (8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene?
The canonical SMILES for (8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene is COC=C1C/C=C\CCCc2ccccc2C1.
What is the InChIKey of (8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene?
The InChIKey is TUCKFOLVIVLDAL-HXIVJMAJSA-N. The full InChI is InChI=1S/C16H20O/c1-17-13-14-8-4-2-3-5-9-15-10-6-7-11-16(15)12-14/h2,4,6-7,10-11,13H,3,5,8-9,12H2,1H3/b4-2-,14-13?.
What are the key properties of (8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene?
(8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene has a molecular weight of 228.34 g/mol, XLogP of 4.04, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (8Z)-6-(methoxymethylidene)-7,10,11,12-tetrahydro-5H-benzo[10]annulene is sourced from PubChem (CID 173213706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).