7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene

C18H20O — CID 134982469

IUPAC7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene
SMILESCOC1=CC(C(C)C)=CC=CC1=C1C=CC=CC=C1
InChIInChI=1S/C18H20O/c1-14(2)16-11-8-12-17(18(13-16)19-3)15-9-6-4-5-7-10-15/h4-14H,1-3H3
InChIKeyBVCHYTWYCCETDI-UHFFFAOYSA-N
MW252.36 g/mol
LogP4.65
Rot. Bonds2

About 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene

7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene (PubChem CID 134982469) has the molecular formula C18H20O and a molecular weight of 252.36 g/mol. Its IUPAC name is 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene.

Molecular Properties

Compound Name7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene
PubChem CID134982469
Molecular FormulaC18H20O
Molecular Weight252.36 g/mol
Exact Mass252.15
IUPAC Name7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene
SMILESCOC1=CC(C(C)C)=CC=CC1=C1C=CC=CC=C1
InChIInChI=1S/C18H20O/c1-14(2)16-11-8-12-17(18(13-16)19-3)15-9-6-4-5-7-10-15/h4-14H,1-3H3
InChIKeyBVCHYTWYCCETDI-UHFFFAOYSA-N
XLogP4.65
TPSA9.23 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.36
LogP ≤ 54.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene?
The IUPAC name of 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene (CID 134982469) is 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene.
What is the SMILES notation for 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene?
The canonical SMILES for 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene is COC1=CC(C(C)C)=CC=CC1=C1C=CC=CC=C1.
What is the InChIKey of 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene?
The InChIKey is BVCHYTWYCCETDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O/c1-14(2)16-11-8-12-17(18(13-16)19-3)15-9-6-4-5-7-10-15/h4-14H,1-3H3.
What are the key properties of 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene?
7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene has a molecular weight of 252.36 g/mol, XLogP of 4.65, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 7-cyclohepta-2,4,6-trien-1-ylidene-1-methoxy-3-propan-2-ylcyclohepta-1,3,5-triene is sourced from PubChem (CID 134982469), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).