2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one

C18H20O2 — CID 68967979

IUPAC2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one
SMILESC=C1CCC2(C)C(=O)C(=Cc3ccco3)CCC2=C1C
InChIInChI=1S/C18H20O2/c1-12-8-9-18(3)16(13(12)2)7-6-14(17(18)19)11-15-5-4-10-20-15/h4-5,10-11H,1,6-9H2,2-3H3
InChIKeyYSNSSAXYSHBKCR-UHFFFAOYSA-N
MW268.36 g/mol
LogP4.70
Rot. Bonds1

About 2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one

2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one (PubChem CID 68967979) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one.

Molecular Properties

Compound Name2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one
PubChem CID68967979
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one
SMILESC=C1CCC2(C)C(=O)C(=Cc3ccco3)CCC2=C1C
InChIInChI=1S/C18H20O2/c1-12-8-9-18(3)16(13(12)2)7-6-14(17(18)19)11-15-5-4-10-20-15/h4-5,10-11H,1,6-9H2,2-3H3
InChIKeyYSNSSAXYSHBKCR-UHFFFAOYSA-N
XLogP4.70
TPSA30.21 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.36
LogP ≤ 54.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one?
The IUPAC name of 2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one (CID 68967979) is 2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one.
What is the SMILES notation for 2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one?
The canonical SMILES for 2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one is C=C1CCC2(C)C(=O)C(=Cc3ccco3)CCC2=C1C.
What is the InChIKey of 2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one?
The InChIKey is YSNSSAXYSHBKCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-12-8-9-18(3)16(13(12)2)7-6-14(17(18)19)11-15-5-4-10-20-15/h4-5,10-11H,1,6-9H2,2-3H3.
What are the key properties of 2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one?
2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one has a molecular weight of 268.36 g/mol, XLogP of 4.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-2-ylmethylidene)-5,8a-dimethyl-6-methylidene-3,4,7,8-tetrahydronaphthalen-1-one is sourced from PubChem (CID 68967979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).