7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one

C24H30O4 — CID 23933137

IUPAC7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one
SMILESC=C1CCC2C(C)(C)C(=O)CCC2(C)C1COC1=CC2OC(=O)CC=C2C=C1
InChIInChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,13,18-20H,1,5,9-12,14H2,2-4H3
InChIKeyMDJZEDQPGBGJJV-UHFFFAOYSA-N
MW382.50 g/mol
LogP4.68
Rot. Bonds3

About 7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one

7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one (PubChem CID 23933137) has the molecular formula C24H30O4 and a molecular weight of 382.50 g/mol. Its IUPAC name is 7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one.

Molecular Properties

Compound Name7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one
PubChem CID23933137
Molecular FormulaC24H30O4
Molecular Weight382.50 g/mol
Exact Mass382.21
IUPAC Name7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one
SMILESC=C1CCC2C(C)(C)C(=O)CCC2(C)C1COC1=CC2OC(=O)CC=C2C=C1
InChIInChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,13,18-20H,1,5,9-12,14H2,2-4H3
InChIKeyMDJZEDQPGBGJJV-UHFFFAOYSA-N
XLogP4.68
TPSA52.60 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.50
LogP ≤ 54.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one?
The IUPAC name of 7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one (CID 23933137) is 7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one.
What is the SMILES notation for 7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one?
The canonical SMILES for 7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one is C=C1CCC2C(C)(C)C(=O)CCC2(C)C1COC1=CC2OC(=O)CC=C2C=C1.
What is the InChIKey of 7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one?
The InChIKey is MDJZEDQPGBGJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30O4/c1-15-5-9-20-23(2,3)21(25)11-12-24(20,4)18(15)14-27-17-8-6-16-7-10-22(26)28-19(16)13-17/h6-8,13,18-20H,1,5,9-12,14H2,2-4H3.
What are the key properties of 7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one?
7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one has a molecular weight of 382.50 g/mol, XLogP of 4.68, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(5,5,8a-trimethyl-2-methylidene-6-oxo-1,3,4,4a,7,8-hexahydronaphthalen-1-yl)methoxy]-3,8a-dihydrochromen-2-one is sourced from PubChem (CID 23933137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).