5-hydroxy-7,15-dimethyltricyclo[8.7.0.011,15]heptadec-7-ene-9,14-dione

C19H28O3 — CID 123614164

IUPAC5-hydroxy-7,15-dimethyltricyclo[8.7.0.011,15]heptadec-7-ene-9,14-dione
SMILESCC1=CC(=O)C2C(CCCC(O)C1)CCC1(C)C(=O)CCC21
InChIInChI=1S/C19H28O3/c1-12-10-14(20)5-3-4-13-8-9-19(2)15(6-7-17(19)22)18(13)16(21)11-12/h11,13-15,18,20H,3-10H2,1-2H3
InChIKeyQMZIDGBHHWRLOL-UHFFFAOYSA-N
MW304.43 g/mol
LogP3.45
Rot. Bonds

About 5-hydroxy-7,15-dimethyltricyclo[8.7.0.011,15]heptadec-7-ene-9,14-dione

5-hydroxy-7,15-dimethyltricyclo[8.7.0.011,15]heptadec-7-ene-9,14-dione (PubChem CID 123614164) has the molecular formula C19H28O3 and a molecular weight of 304.43 g/mol. Its IUPAC name is 5-hydroxy-7,15-dimethyltricyclo[8.7.0.011,15]heptadec-7-ene-9,14-dione.

Molecular Properties

Compound Name5-hydroxy-7,15-dimethyltricyclo[8.7.0.011,15]heptadec-7-ene-9,14-dione
PubChem CID123614164
Molecular FormulaC19H28O3
Molecular Weight304.43 g/mol
Exact Mass304.20
IUPAC Name5-hydroxy-7,15-dimethyltricyclo[8.7.0.011,15]heptadec-7-ene-9,14-dione
SMILESCC1=CC(=O)C2C(CCCC(O)C1)CCC1(C)C(=O)CCC21
InChIInChI=1S/C19H28O3/c1-12-10-14(20)5-3-4-13-8-9-19(2)15(6-7-17(19)22)18(13)16(21)11-12/h11,13-15,18,20H,3-10H2,1-2H3
InChIKeyQMZIDGBHHWRLOL-UHFFFAOYSA-N
XLogP3.45
TPSA54.37 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.43
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(8R,9R,10R,13S,14S)-3-hydroxy-7-hydroxyimino-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-17-one
CID 173236377
(3R,8R,10R,13S,14S)-3,10,13-trimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-7,17-dione
CID 25154197
(3S,8R,9S,10R,13S,14S)-3-hydroxy-10,13-dimethyl-4,8,9,11,12,14,15,16-octahydro-3H-cyclopenta[a]phenanthrene-7,17-dione
CID 11594592
ethyl (8R,9R,10R,13S,14S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylate
CID 67170522
(3R,7S,8R,9S,10R,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 11544015
(3R,7R,8R,9S,10R,13S,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 12011802
(3S,7R,10R)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 71216162
(3R,7R,8R,9S,10S,13R,14S)-3,7-dihydroxy-10,13-dimethyl-1,2,3,4,7,8,9,11,12,14,15,16-dodecahydrocyclopenta[a]phenanthren-17-one
CID 125462948
methyl (3S,8R,9S,10R,13S,14S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-3-carboxylate
CID 10286773
(1R,2R,11R,12S,16S)-4-hydroxy-2,16-dimethyl-6-oxapentacyclo[9.7.0.02,8.05,7.012,16]octadec-8-ene-10,15-dione
CID 88861531
(3S,10R,13S)-3-methoxy-10,13-dimethyl-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthrene-7,17-dione
CID 11472559
[(3S,8R,9R,10R,13S,14S)-10,13-dimethyl-7,17-dioxo-2,3,4,8,9,11,12,14,15,16-decahydro-1H-cyclopenta[a]phenanthren-3-yl] acetate
CID 11888126

Frequently Asked Questions

What is the IUPAC name of 5-hydroxy-7,15-dimethyltricyclo[8.7.0.011,15]heptadec-7-ene-9,14-dione?
The IUPAC name of 5-hydroxy-7,15-dimethyltricyclo[8.7.0.011,15]heptadec-7-ene-9,14-dione (CID 123614164) is 5-hydroxy-7,15-dimethyltricyclo[8.7.0.011,15]heptadec-7-ene-9,14-dione.
What is the SMILES notation for 5-hydroxy-7,15-dimethyltricyclo[8.7.0.011,15]heptadec-7-ene-9,14-dione?
The canonical SMILES for 5-hydroxy-7,15-dimethyltricyclo[8.7.0.011,15]heptadec-7-ene-9,14-dione is CC1=CC(=O)C2C(CCCC(O)C1)CCC1(C)C(=O)CCC21.
What is the InChIKey of 5-hydroxy-7,15-dimethyltricyclo[8.7.0.011,15]heptadec-7-ene-9,14-dione?
The InChIKey is QMZIDGBHHWRLOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O3/c1-12-10-14(20)5-3-4-13-8-9-19(2)15(6-7-17(19)22)18(13)16(21)11-12/h11,13-15,18,20H,3-10H2,1-2H3.
What are the key properties of 5-hydroxy-7,15-dimethyltricyclo[8.7.0.011,15]heptadec-7-ene-9,14-dione?
5-hydroxy-7,15-dimethyltricyclo[8.7.0.011,15]heptadec-7-ene-9,14-dione has a molecular weight of 304.43 g/mol, XLogP of 3.45, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-hydroxy-7,15-dimethyltricyclo[8.7.0.011,15]heptadec-7-ene-9,14-dione is sourced from PubChem (CID 123614164), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).