Asperdiol

C20H32O3 — CID 5358793

IUPAC(4E,10E)-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol
SMILESC/C/1=C\CCC2(C(O2)CC/C(=C\C(C(CC1)C(=C)C)O)/CO)C
InChIInChI=1S/C20H32O3/c1-14(2)17-9-7-15(3)6-5-11-20(4)19(23-20)10-8-16(13-21)12-18(17)22/h6,12,17-19,21-22H,1,5,7-11,13H2,2-4H3/b15-6+,16-12+
InChIKeyFLJAFHRJXPAASR-HOZOIBKHSA-N
MW320.50 g/mol
LogP2.80
Rot. Bonds2

About Asperdiol

Asperdiol (PubChem CID 5358793) has the molecular formula C20H32O3 and a molecular weight of 320.50 g/mol. Its IUPAC name is (4E,10E)-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol.

Molecular Properties

Compound NameAsperdiol
PubChem CID5358793
Molecular FormulaC20H32O3
Molecular Weight320.50 g/mol
Exact Mass320.24
IUPAC Name(4E,10E)-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol
SMILESC/C/1=C\CCC2(C(O2)CC/C(=C\C(C(CC1)C(=C)C)O)/CO)C
InChIInChI=1S/C20H32O3/c1-14(2)17-9-7-15(3)6-5-11-20(4)19(23-20)10-8-16(13-21)12-18(17)22/h6,12,17-19,21-22H,1,5,7-11,13H2,2-4H3/b15-6+,16-12+
InChIKeyFLJAFHRJXPAASR-HOZOIBKHSA-N
XLogP2.80
TPSA53.00 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity491

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.50
LogP ≤ 52.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze Asperdiol with MolForge

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

Launch Full Analysis

Related Compounds

Asperdiol acetate
CID 10594833
[(1S,4Z,8E,10E,14S)-8,14-dimethyl-11-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,8,10-trien-4-yl]methanol
CID 53495361
Knightol
CID 44480981
Lobocompactol B
CID 54582432
Lobocompactol A
CID 54583411
2-((1S,10S,5R)-1,5,10-Trimethyl-4,9-dioxatetracyclo[11.3.0.0<3,5>.0<8,10>]hexadec-14-en-14-yl)propan-2-ol
CID 479939
(1R,2E,6S,8S,11E,14S)-3,8,12,16-tetramethyl-7,18-dioxatricyclo[13.3.0.06,8]octadeca-2,11,15-trien-14-ol
CID 11844490
(2E,6E,11S,12R)-3,7,11,15-tetramethylhexadeca-2,6,14-triene-1,12-diol
CID 16681369
Sinugibberol
CID 21585428
(1S,3S,4Z,6E,10E,14S)-1,7,11-trimethyl-4-propan-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,6,10-trien-3-ol
CID 23424635
(1R,4e,6s,7r,10e,14r)-6-hydroxy-10,14-dimethyl-7-(1-methylethenyl)-15-oxabicyclo[12.1.0]pentadeca-4,10-diene-4-methanol
CID 21582588
Glisoprenin C
CID 10842776

Frequently Asked Questions

What is the IUPAC name of Asperdiol?
The IUPAC name of Asperdiol (CID 5358793) is (4E,10E)-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol.
What is the SMILES notation for Asperdiol?
The canonical SMILES for Asperdiol is C/C/1=C\CCC2(C(O2)CC/C(=C\C(C(CC1)C(=C)C)O)/CO)C.
What is the InChIKey of Asperdiol?
The InChIKey is FLJAFHRJXPAASR-HOZOIBKHSA-N. The full InChI is InChI=1S/C20H32O3/c1-14(2)17-9-7-15(3)6-5-11-20(4)19(23-20)10-8-16(13-21)12-18(17)22/h6,12,17-19,21-22H,1,5,7-11,13H2,2-4H3/b15-6+,16-12+.
What are the key properties of Asperdiol?
Asperdiol has a molecular weight of 320.50 g/mol, XLogP of 2.80, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for Asperdiol is sourced from PubChem (CID 5358793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).