(4E,10E)-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol

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(C)C1CC/C(C)=C/CCC2(C)OC2CC/C(CO)=C\C1O
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
MW320.47 g/mol
LogP3.92
Rot. Bonds2

About (4E,10E)-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol

(4E,10E)-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol (PubChem CID 5358793) has the molecular formula C20H32O3 and a molecular weight of 320.47 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 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
PubChem CID5358793
Molecular FormulaC20H32O3
Molecular Weight320.47 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(C)C1CC/C(C)=C/CCC2(C)OC2CC/C(CO)=C\C1O
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
XLogP3.92
TPSA52.99 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.47
LogP ≤ 53.92
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 (4E,10E)-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol with MolForge

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Related Compounds

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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 (4E,10E)-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol?
The IUPAC name of (4E,10E)-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol (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 (4E,10E)-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol?
The canonical SMILES for (4E,10E)-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol is C=C(C)C1CC/C(C)=C/CCC2(C)OC2CC/C(CO)=C\C1O.
What is the InChIKey of (4E,10E)-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol?
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 (4E,10E)-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol?
(4E,10E)-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol has a molecular weight of 320.47 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4E,10E)-4-(hydroxymethyl)-10,14-dimethyl-7-prop-1-en-2-yl-15-oxabicyclo[12.1.0]pentadeca-4,10-dien-6-ol is sourced from PubChem (CID 5358793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).