1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone

C18H28O2 — CID 18519297

IUPAC1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone
SMILESCC(=O)C12CCCCC1C1CCCCC1(C(C)=O)CC2
InChIInChI=1S/C18H28O2/c1-13(19)17-9-5-3-7-15(17)16-8-4-6-10-18(16,12-11-17)14(2)20/h15-16H,3-12H2,1-2H3
InChIKeyHZQNPPDQRPLSFC-UHFFFAOYSA-N
MW276.42 g/mol
LogP4.31
Rot. Bonds2

About 1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone

1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone (PubChem CID 18519297) has the molecular formula C18H28O2 and a molecular weight of 276.42 g/mol. Its IUPAC name is 1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone.

Molecular Properties

Compound Name1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone
PubChem CID18519297
Molecular FormulaC18H28O2
Molecular Weight276.42 g/mol
Exact Mass276.21
IUPAC Name1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone
SMILESCC(=O)C12CCCCC1C1CCCCC1(C(C)=O)CC2
InChIInChI=1S/C18H28O2/c1-13(19)17-9-5-3-7-15(17)16-8-4-6-10-18(16,12-11-17)14(2)20/h15-16H,3-12H2,1-2H3
InChIKeyHZQNPPDQRPLSFC-UHFFFAOYSA-N
XLogP4.31
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.42
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone?
The IUPAC name of 1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone (CID 18519297) is 1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone.
What is the SMILES notation for 1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone?
The canonical SMILES for 1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone is CC(=O)C12CCCCC1C1CCCCC1(C(C)=O)CC2.
What is the InChIKey of 1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone?
The InChIKey is HZQNPPDQRPLSFC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O2/c1-13(19)17-9-5-3-7-15(17)16-8-4-6-10-18(16,12-11-17)14(2)20/h15-16H,3-12H2,1-2H3.
What are the key properties of 1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone?
1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone has a molecular weight of 276.42 g/mol, XLogP of 4.31, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(10a-acetyl-1,2,3,4,4a,4b,5,6,7,8,9,10-dodecahydrophenanthren-8a-yl)ethanone is sourced from PubChem (CID 18519297), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).