7,11-dihydroxy-3,8,8,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

C20H34O6 — CID 20824920

IUPAC7,11-dihydroxy-3,8,8,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
SMILESCC1CC2OC2(C)CCCC(C)C(O)CC(=O)C(C)(C)C(O)CC(=O)O1
InChIInChI=1S/C20H34O6/c1-12-7-6-8-20(5)17(26-20)9-13(2)25-18(24)11-16(23)19(3,4)15(22)10-14(12)21/h12-14,16-17,21,23H,6-11H2,1-5H3
InChIKeyFKZDOXLHTHOKEE-UHFFFAOYSA-N
MW370.49 g/mol
LogP2.38
Rot. Bonds

About 7,11-dihydroxy-3,8,8,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione

7,11-dihydroxy-3,8,8,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione (PubChem CID 20824920) has the molecular formula C20H34O6 and a molecular weight of 370.49 g/mol. Its IUPAC name is 7,11-dihydroxy-3,8,8,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione.

Molecular Properties

Compound Name7,11-dihydroxy-3,8,8,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
PubChem CID20824920
Molecular FormulaC20H34O6
Molecular Weight370.49 g/mol
Exact Mass370.24
IUPAC Name7,11-dihydroxy-3,8,8,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
SMILESCC1CC2OC2(C)CCCC(C)C(O)CC(=O)C(C)(C)C(O)CC(=O)O1
InChIInChI=1S/C20H34O6/c1-12-7-6-8-20(5)17(26-20)9-13(2)25-18(24)11-16(23)19(3,4)15(22)10-14(12)21/h12-14,16-17,21,23H,6-11H2,1-5H3
InChIKeyFKZDOXLHTHOKEE-UHFFFAOYSA-N
XLogP2.38
TPSA96.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.49
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

(1S,3S,7S,10R,11S,12S,16S)-3-[(E)-but-2-en-2-yl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CID 58542604
(7S,10R,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-quinolin-7-yl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CID 88548436
(1S,7S,10R,11S,12S)-3-[1-fluoro-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CID 90863650
(1S,3S,11S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-quinolin-7-yl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CID 59890446
3-[1-fluoro-2-(2-methyl-1,3-oxazol-4-yl)ethenyl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CID 72763537
(1R,3R,7R,10S,11R,12R,16S)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CID 125463313
(1R,3S,7S,10R,11S,12S,16S)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CID 91546577
(1S,7S,11S,12S,16R)-7,11-dihydroxy-8,8,10,12,16-pentamethyl-3-[(E)-1-(2-methyl-1,3-thiazol-4-yl)prop-1-en-2-yl]-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CID 59131072
(1S,7S,10R,11S,12S,16R)-7-hydroxy-8,8,10,11,12,16-hexamethyl-3-(2-methyl-1,3-benzothiazol-5-yl)-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CID 87104940
(1S,3S,7S,10R,11S,12S,16S)-3-[1-chloro-2-(2-methyl-1,3-thiazol-4-yl)ethenyl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CID 87798265
(1S,3S,7S,12S,16R)-3-[1-[2-(aminomethyl)-1,3-thiazol-4-yl]prop-1-en-2-yl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CID 118519969
(1S,3S,7S,10R,11S,12S,16R)-3-[2-[2-(aminomethyl)-1,3-thiazol-4-yl]ethenyl]-7,11-dihydroxy-8,8,10,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione
CID 87584498

Frequently Asked Questions

What is the IUPAC name of 7,11-dihydroxy-3,8,8,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione?
The IUPAC name of 7,11-dihydroxy-3,8,8,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione (CID 20824920) is 7,11-dihydroxy-3,8,8,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione.
What is the SMILES notation for 7,11-dihydroxy-3,8,8,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione?
The canonical SMILES for 7,11-dihydroxy-3,8,8,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione is CC1CC2OC2(C)CCCC(C)C(O)CC(=O)C(C)(C)C(O)CC(=O)O1.
What is the InChIKey of 7,11-dihydroxy-3,8,8,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione?
The InChIKey is FKZDOXLHTHOKEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H34O6/c1-12-7-6-8-20(5)17(26-20)9-13(2)25-18(24)11-16(23)19(3,4)15(22)10-14(12)21/h12-14,16-17,21,23H,6-11H2,1-5H3.
What are the key properties of 7,11-dihydroxy-3,8,8,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione?
7,11-dihydroxy-3,8,8,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione has a molecular weight of 370.49 g/mol, XLogP of 2.38, 0 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7,11-dihydroxy-3,8,8,12,16-pentamethyl-4,17-dioxabicyclo[14.1.0]heptadecane-5,9-dione is sourced from PubChem (CID 20824920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).