4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione

C20H28O2 — CID 73097863

IUPAC4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione
SMILESCC1=C2C(=O)CC2(C)C2CC3C(=O)CC(C)C2(CC1)C3(C)C
InChIInChI=1S/C20H28O2/c1-11-6-7-20-12(2)8-14(21)13(18(20,3)4)9-16(20)19(5)10-15(22)17(11)19/h12-13,16H,6-10H2,1-5H3
InChIKeyKRCGGWPCKKCUQE-UHFFFAOYSA-N
MW300.44 g/mol
LogP4.33
Rot. Bonds

About 4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione

4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione (PubChem CID 73097863) has the molecular formula C20H28O2 and a molecular weight of 300.44 g/mol. Its IUPAC name is 4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione.

Molecular Properties

Compound Name4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione
PubChem CID73097863
Molecular FormulaC20H28O2
Molecular Weight300.44 g/mol
Exact Mass300.21
IUPAC Name4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione
SMILESCC1=C2C(=O)CC2(C)C2CC3C(=O)CC(C)C2(CC1)C3(C)C
InChIInChI=1S/C20H28O2/c1-11-6-7-20-12(2)8-14(21)13(18(20,3)4)9-16(20)19(5)10-15(22)17(11)19/h12-13,16H,6-10H2,1-5H3
InChIKeyKRCGGWPCKKCUQE-UHFFFAOYSA-N
XLogP4.33
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.44
LogP ≤ 54.33
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione with MolForge

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Related Compounds

(1S,9S,10R,12R,14S,15S)-14-hydroxy-4,9,15,16,16-pentamethyl-6-oxatetracyclo[10.3.1.01,10.05,9]hexadec-4-en-7-one
CID 156582053
4,7,8-trimethyl-1-oxaspiro[4.5]dec-7-en-2-one
CID 15073434
4,4a-dihydroxy-3,6,6,7b-tetramethyl-4,5,7,7a-tetrahydro-1H-cyclobuta[e]inden-2-one
CID 78155540
(1S,6R,8S,9S,11R,13S,14S)-4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,13-diol
CID 156582058
4,4,5-trimethylcyclohexane-1,2-dione
CID 130029950
(5S,7S)-1,2-dimethyltricyclo[3.2.0.02,7]heptan-4-one
CID 130271472
2,3,3,4,4-pentamethylcyclohexan-1-one
CID 130436364
(1S,6R)-1-methylbicyclo[4.2.0]octane-2,5-dione
CID 130906162
(1S,7S,10S)-4,10,11,11-tetramethyltricyclo[5.3.1.01,5]undec-4-ene
CID 91750213
2,3-dimethyl-3-phenylcyclobutan-1-one
CID 131076191
5,7a-dimethyl-3,3a,4,5,6,7-hexahydro-2H-inden-1-one
CID 130029475
methyl (2S)-2-[(1aR,1bS,6aS)-1b,6-dimethyl-3-oxo-1,1a,2,6a-tetrahydrocyclopropa[a]inden-4-yl]propanoate
CID 162921301

Frequently Asked Questions

What is the IUPAC name of 4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione?
The IUPAC name of 4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione (CID 73097863) is 4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione.
What is the SMILES notation for 4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione?
The canonical SMILES for 4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione is CC1=C2C(=O)CC2(C)C2CC3C(=O)CC(C)C2(CC1)C3(C)C.
What is the InChIKey of 4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione?
The InChIKey is KRCGGWPCKKCUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28O2/c1-11-6-7-20-12(2)8-14(21)13(18(20,3)4)9-16(20)19(5)10-15(22)17(11)19/h12-13,16H,6-10H2,1-5H3.
What are the key properties of 4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione?
4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione has a molecular weight of 300.44 g/mol, XLogP of 4.33, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,8,14,15,15-pentamethyltetracyclo[9.3.1.01,9.05,8]pentadec-4-ene-6,12-dione is sourced from PubChem (CID 73097863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).