5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one

C18H28O3 — CID 18436237

IUPAC5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one
SMILESCC1(C23CCCCC2CC2CCCCC23)CC(O)C(=O)O1
InChIInChI=1S/C18H28O3/c1-17(11-15(19)16(20)21-17)18-9-5-4-7-13(18)10-12-6-2-3-8-14(12)18/h12-15,19H,2-11H2,1H3
InChIKeyKAJFTWOOTZGYST-UHFFFAOYSA-N
MW292.42 g/mol
LogP3.44
Rot. Bonds1

About 5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one

5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one (PubChem CID 18436237) has the molecular formula C18H28O3 and a molecular weight of 292.42 g/mol. Its IUPAC name is 5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one.

Molecular Properties

Compound Name5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one
PubChem CID18436237
Molecular FormulaC18H28O3
Molecular Weight292.42 g/mol
Exact Mass292.20
IUPAC Name5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one
SMILESCC1(C23CCCCC2CC2CCCCC23)CC(O)C(=O)O1
InChIInChI=1S/C18H28O3/c1-17(11-15(19)16(20)21-17)18-9-5-4-7-13(18)10-12-6-2-3-8-14(12)18/h12-15,19H,2-11H2,1H3
InChIKeyKAJFTWOOTZGYST-UHFFFAOYSA-N
XLogP3.44
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.42
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one 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 5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one?
The IUPAC name of 5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one (CID 18436237) is 5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one.
What is the SMILES notation for 5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one?
The canonical SMILES for 5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one is CC1(C23CCCCC2CC2CCCCC23)CC(O)C(=O)O1.
What is the InChIKey of 5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one?
The InChIKey is KAJFTWOOTZGYST-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28O3/c1-17(11-15(19)16(20)21-17)18-9-5-4-7-13(18)10-12-6-2-3-8-14(12)18/h12-15,19H,2-11H2,1H3.
What are the key properties of 5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one?
5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one has a molecular weight of 292.42 g/mol, XLogP of 3.44, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,3,4,4b,5,6,7,8,8a,9,9a-dodecahydrofluoren-4a-yl)-3-hydroxy-5-methyloxolan-2-one is sourced from PubChem (CID 18436237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).