(10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one

C15H16O2 — CID 134847630

IUPAC(10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one
SMILESCC1=C(C)C[C@H]2c3ccccc3OC(=O)C2C1
InChIInChI=1S/C15H16O2/c1-9-7-12-11-5-3-4-6-14(11)17-15(16)13(12)8-10(9)2/h3-6,12-13H,7-8H2,1-2H3/t12-,13?/m0/s1
InChIKeyXDJCTQMSQWDSGY-UEWDXFNNSA-N
MW228.29 g/mol
LogP3.44
Rot. Bonds

About (10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one

(10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one (PubChem CID 134847630) has the molecular formula C15H16O2 and a molecular weight of 228.29 g/mol. Its IUPAC name is (10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one.

Molecular Properties

Compound Name(10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one
PubChem CID134847630
Molecular FormulaC15H16O2
Molecular Weight228.29 g/mol
Exact Mass228.12
IUPAC Name(10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one
SMILESCC1=C(C)C[C@H]2c3ccccc3OC(=O)C2C1
InChIInChI=1S/C15H16O2/c1-9-7-12-11-5-3-4-6-14(11)17-15(16)13(12)8-10(9)2/h3-6,12-13H,7-8H2,1-2H3/t12-,13?/m0/s1
InChIKeyXDJCTQMSQWDSGY-UEWDXFNNSA-N
XLogP3.44
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of (10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one?
The IUPAC name of (10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one (CID 134847630) is (10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one.
What is the SMILES notation for (10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one?
The canonical SMILES for (10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one is CC1=C(C)C[C@H]2c3ccccc3OC(=O)C2C1.
What is the InChIKey of (10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one?
The InChIKey is XDJCTQMSQWDSGY-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H16O2/c1-9-7-12-11-5-3-4-6-14(11)17-15(16)13(12)8-10(9)2/h3-6,12-13H,7-8H2,1-2H3/t12-,13?/m0/s1.
What are the key properties of (10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one?
(10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one has a molecular weight of 228.29 g/mol, XLogP of 3.44, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (10aR)-8,9-dimethyl-6a,7,10,10a-tetrahydrobenzo[c]chromen-6-one is sourced from PubChem (CID 134847630), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).