8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione

C18H20O2 — CID 10492141

IUPAC8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione
SMILESCC(C)C1=Cc2ccc3c(c2C(=O)C1=O)CCCC3C
InChIInChI=1S/C18H20O2/c1-10(2)15-9-12-7-8-13-11(3)5-4-6-14(13)16(12)18(20)17(15)19/h7-11H,4-6H2,1-3H3
InChIKeyRVDHNMHKKQZVSU-UHFFFAOYSA-N
MW268.36 g/mol
LogP3.93
Rot. Bonds1

About 8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione

8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione (PubChem CID 10492141) has the molecular formula C18H20O2 and a molecular weight of 268.36 g/mol. Its IUPAC name is 8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione.

Molecular Properties

Compound Name8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione
PubChem CID10492141
Molecular FormulaC18H20O2
Molecular Weight268.36 g/mol
Exact Mass268.15
IUPAC Name8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione
SMILESCC(C)C1=Cc2ccc3c(c2C(=O)C1=O)CCCC3C
InChIInChI=1S/C18H20O2/c1-10(2)15-9-12-7-8-13-11(3)5-4-6-14(13)16(12)18(20)17(15)19/h7-11H,4-6H2,1-3H3
InChIKeyRVDHNMHKKQZVSU-UHFFFAOYSA-N
XLogP3.93
TPSA34.14 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 ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_one_A(321)', 'substructure': 'N/A'}, {'alert_name': 'quinone_D(2)', 'substructure': 'N/A'}, {'alert_name': 'diketo_group', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione?
The IUPAC name of 8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione (CID 10492141) is 8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione.
What is the SMILES notation for 8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione?
The canonical SMILES for 8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione is CC(C)C1=Cc2ccc3c(c2C(=O)C1=O)CCCC3C.
What is the InChIKey of 8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione?
The InChIKey is RVDHNMHKKQZVSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20O2/c1-10(2)15-9-12-7-8-13-11(3)5-4-6-14(13)16(12)18(20)17(15)19/h7-11H,4-6H2,1-3H3.
What are the key properties of 8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione?
8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione has a molecular weight of 268.36 g/mol, XLogP of 3.93, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione is sourced from PubChem (CID 10492141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).