5-(1,2,4b-trimethyl-1,3,5,6,7,8,10,10a-octahydrophenanthren-2-yl)-5-ethyloxolan-2-ol

C23H36O2 — CID 142894730

IUPAC5-(1,2,4b-trimethyl-1,3,5,6,7,8,10,10a-octahydrophenanthren-2-yl)-5-ethyloxolan-2-ol
SMILESCCC1(C2(C)CC=C3C(CC=C4CCCCC43C)C2C)CCC(O)O1
InChIInChI=1S/C23H36O2/c1-5-23(15-12-20(24)25-23)22(4)14-11-19-18(16(22)2)10-9-17-8-6-7-13-21(17,19)3/h9,11,16,18,20,24H,5-8,10,12-15H2,1-4H3
InChIKeyUJEXCBQAAZVTMF-UHFFFAOYSA-N
MW344.54 g/mol
LogP5.76
Rot. Bonds2

About 5-(1,2,4b-trimethyl-1,3,5,6,7,8,10,10a-octahydrophenanthren-2-yl)-5-ethyloxolan-2-ol

5-(1,2,4b-trimethyl-1,3,5,6,7,8,10,10a-octahydrophenanthren-2-yl)-5-ethyloxolan-2-ol (PubChem CID 142894730) has the molecular formula C23H36O2 and a molecular weight of 344.54 g/mol. Its IUPAC name is 5-(1,2,4b-trimethyl-1,3,5,6,7,8,10,10a-octahydrophenanthren-2-yl)-5-ethyloxolan-2-ol.

Molecular Properties

Compound Name5-(1,2,4b-trimethyl-1,3,5,6,7,8,10,10a-octahydrophenanthren-2-yl)-5-ethyloxolan-2-ol
PubChem CID142894730
Molecular FormulaC23H36O2
Molecular Weight344.54 g/mol
Exact Mass344.27
IUPAC Name5-(1,2,4b-trimethyl-1,3,5,6,7,8,10,10a-octahydrophenanthren-2-yl)-5-ethyloxolan-2-ol
SMILESCCC1(C2(C)CC=C3C(CC=C4CCCCC43C)C2C)CCC(O)O1
InChIInChI=1S/C23H36O2/c1-5-23(15-12-20(24)25-23)22(4)14-11-19-18(16(22)2)10-9-17-8-6-7-13-21(17,19)3/h9,11,16,18,20,24H,5-8,10,12-15H2,1-4H3
InChIKeyUJEXCBQAAZVTMF-UHFFFAOYSA-N
XLogP5.76
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.54
LogP ≤ 55.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 5-(1,2,4b-trimethyl-1,3,5,6,7,8,10,10a-octahydrophenanthren-2-yl)-5-ethyloxolan-2-ol?
The IUPAC name of 5-(1,2,4b-trimethyl-1,3,5,6,7,8,10,10a-octahydrophenanthren-2-yl)-5-ethyloxolan-2-ol (CID 142894730) is 5-(1,2,4b-trimethyl-1,3,5,6,7,8,10,10a-octahydrophenanthren-2-yl)-5-ethyloxolan-2-ol.
What is the SMILES notation for 5-(1,2,4b-trimethyl-1,3,5,6,7,8,10,10a-octahydrophenanthren-2-yl)-5-ethyloxolan-2-ol?
The canonical SMILES for 5-(1,2,4b-trimethyl-1,3,5,6,7,8,10,10a-octahydrophenanthren-2-yl)-5-ethyloxolan-2-ol is CCC1(C2(C)CC=C3C(CC=C4CCCCC43C)C2C)CCC(O)O1.
What is the InChIKey of 5-(1,2,4b-trimethyl-1,3,5,6,7,8,10,10a-octahydrophenanthren-2-yl)-5-ethyloxolan-2-ol?
The InChIKey is UJEXCBQAAZVTMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H36O2/c1-5-23(15-12-20(24)25-23)22(4)14-11-19-18(16(22)2)10-9-17-8-6-7-13-21(17,19)3/h9,11,16,18,20,24H,5-8,10,12-15H2,1-4H3.
What are the key properties of 5-(1,2,4b-trimethyl-1,3,5,6,7,8,10,10a-octahydrophenanthren-2-yl)-5-ethyloxolan-2-ol?
5-(1,2,4b-trimethyl-1,3,5,6,7,8,10,10a-octahydrophenanthren-2-yl)-5-ethyloxolan-2-ol has a molecular weight of 344.54 g/mol, XLogP of 5.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,2,4b-trimethyl-1,3,5,6,7,8,10,10a-octahydrophenanthren-2-yl)-5-ethyloxolan-2-ol is sourced from PubChem (CID 142894730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).