1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione

C20H28O4 — CID 163134846

IUPAC1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione
SMILESCC1=CC2(O)C(=O)C(C)=CC3C(CCC(C)(O)CC2C1=O)C3(C)C
InChIInChI=1S/C20H28O4/c1-11-8-14-13(18(14,3)4)6-7-19(5,23)10-15-16(21)12(2)9-20(15,24)17(11)22/h8-9,13-15,23-24H,6-7,10H2,1-5H3
InChIKeyHNZIXHILPGPDTD-UHFFFAOYSA-N
MW332.44 g/mol
LogP2.59
Rot. Bonds

About 1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione

1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione (PubChem CID 163134846) has the molecular formula C20H28O4 and a molecular weight of 332.44 g/mol. Its IUPAC name is 1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione.

Molecular Properties

Compound Name1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione
PubChem CID163134846
Molecular FormulaC20H28O4
Molecular Weight332.44 g/mol
Exact Mass332.20
IUPAC Name1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione
SMILESCC1=CC2(O)C(=O)C(C)=CC3C(CCC(C)(O)CC2C1=O)C3(C)C
InChIInChI=1S/C20H28O4/c1-11-8-14-13(18(14,3)4)6-7-19(5,23)10-15-16(21)12(2)9-20(15,24)17(11)22/h8-9,13-15,23-24H,6-7,10H2,1-5H3
InChIKeyHNZIXHILPGPDTD-UHFFFAOYSA-N
XLogP2.59
TPSA74.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.44
LogP ≤ 52.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione with MolForge

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Related Compounds

(1'R,2R,3'E,5'R,7'S,11'S,12'R,13'S,14'S)-1',11',13'-trihydroxy-3',6',6',14'-tetramethylspiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-2'-one
CID 15225985
(1R,3E,5R,7S,10Z,12S,13S,14S)-1,13-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,10-dien-2-one
CID 71561554
(1R,2S,4S,7S,9R,10E,13R,15R,16R)-13,15,16-trihydroxy-4,8,8,11,15-pentamethyl-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-12-one
CID 162934870
1-hydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,10-diene-2,13-dione
CID 163033582
(3Z,10Z)-1-hydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,10-diene-2,13-dione
CID 121463173
(1R,3E,11S,13S,14S)-1,11,13-trihydroxy-3,6,6,14-tetramethyl-10-methylidenetricyclo[10.3.0.05,7]pentadec-3-en-2-one
CID 118701516
3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 155663554
(1R,3S,6S)-3,7,7-trimethylbicyclo[4.1.0]heptan-3-ol
CID 171591004
[(1R,2R,4R,7S,9R,10E,13R,15S,16S)-13-hydroxy-4,8,8,11,15-pentamethyl-12-oxo-3-oxatetracyclo[11.3.0.02,4.07,9]hexadec-10-en-16-yl] benzoate
CID 53355692
[(1'R,2R,3'Z,5'R,7'S,12'R,13'S,14'S)-11'-hexanoyloxy-1'-hydroxy-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-13'-yl] hexanoate
CID 56841535
5,8-dihydroxy-3,7,11,15,15-pentamethylbicyclo[12.1.0]pentadeca-2,6,10-trien-4-one
CID 162994490
[(1'R,2S,3'E,5'R,7'S,11'R,12'R,13'S,14'S)-11'-(2-ethylhexanoyloxy)-1'-hydroxy-3',6',6',14'-tetramethyl-2'-oxospiro[oxirane-2,10'-tricyclo[10.3.0.05,7]pentadec-3-ene]-13'-yl] 2-ethylhexanoate
CID 118720685

Frequently Asked Questions

What is the IUPAC name of 1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione?
The IUPAC name of 1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione (CID 163134846) is 1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione.
What is the SMILES notation for 1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione?
The canonical SMILES for 1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione is CC1=CC2(O)C(=O)C(C)=CC3C(CCC(C)(O)CC2C1=O)C3(C)C.
What is the InChIKey of 1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione?
The InChIKey is HNZIXHILPGPDTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O4/c1-11-8-14-13(18(14,3)4)6-7-19(5,23)10-15-16(21)12(2)9-20(15,24)17(11)22/h8-9,13-15,23-24H,6-7,10H2,1-5H3.
What are the key properties of 1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione?
1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione has a molecular weight of 332.44 g/mol, XLogP of 2.59, 0 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1,10-dihydroxy-3,6,6,10,14-pentamethyltricyclo[10.3.0.05,7]pentadeca-3,14-diene-2,13-dione is sourced from PubChem (CID 163134846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).