(1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one

C20H26O2 — CID 102264305

IUPAC(1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one
SMILESCc1ccc2c3c1CCCC(C)(C)[C@]3(O)C(=O)C(C(C)C)=C2
InChIInChI=1S/C20H26O2/c1-12(2)16-11-14-9-8-13(3)15-7-6-10-19(4,5)20(22,17(14)15)18(16)21/h8-9,11-12,22H,6-7,10H2,1-5H3/t20-/m1/s1
InChIKeyKIXMQGXACFNMEM-HXUWFJFHSA-N
MW298.43 g/mol
LogP4.17
Rot. Bonds1

About (1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one

(1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one (PubChem CID 102264305) has the molecular formula C20H26O2 and a molecular weight of 298.43 g/mol. Its IUPAC name is (1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one.

Molecular Properties

Compound Name(1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one
PubChem CID102264305
Molecular FormulaC20H26O2
Molecular Weight298.43 g/mol
Exact Mass298.19
IUPAC Name(1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one
SMILESCc1ccc2c3c1CCCC(C)(C)[C@]3(O)C(=O)C(C(C)C)=C2
InChIInChI=1S/C20H26O2/c1-12(2)16-11-14-9-8-13(3)15-7-6-10-19(4,5)20(22,17(14)15)18(16)21/h8-9,11-12,22H,6-7,10H2,1-5H3/t20-/m1/s1
InChIKeyKIXMQGXACFNMEM-HXUWFJFHSA-N
XLogP4.17
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.43
LogP ≤ 54.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one with MolForge

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Launch Full Analysis

Related Compounds

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CID 162868096
(9aS)-9a-hydroxy-6-methyl-2-propan-2-yl-9-prop-1-en-2-yl-8,9-dihydro-7H-phenalen-1-one
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(2S,3aS)-3a-hydroxy-8-methyl-2-(2-methylpropanoyl)-4-propan-2-yl-1,2-dihydroacenaphthylen-3-one
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3a,6-dimethyl-2,3,4,5-tetrahydro-1H-acenaphthylene
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(1R,2S)-2,5-dimethyl-8-propan-2-yl-3,4-dihydro-1H-naphthalene-1,2-diol
CID 10681213
8-methyl-2-propan-2-yl-5,6,7,8-tetrahydrophenanthrene-3,4-dione
CID 10492141
7-propan-2-yl-3,4-dihydro-2H-phenanthrene-1,5,6-trione
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ethane;5-methyl-8-propan-2-yl-1,2,3,4-tetrahydronaphthalene
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8-methylidene-2-propan-2-yl-6,7-dihydro-5H-phenanthrene-3,4-dione
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1-hydroxy-5-methyl-3,4-dihydro-2H-naphthalene-1-carboxylic acid
CID 83908872
(4'-acetyloxy-7,7'-dimethyl-3,3'-spirobi[1,2-dihydroindene]-4-yl) acetate
CID 58636069
4,7-dimethylspiro[1,2-dihydroindene-3,1'-cyclohexane]
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Frequently Asked Questions

What is the IUPAC name of (1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one?
The IUPAC name of (1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one (CID 102264305) is (1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one.
What is the SMILES notation for (1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one?
The canonical SMILES for (1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one is Cc1ccc2c3c1CCCC(C)(C)[C@]3(O)C(=O)C(C(C)C)=C2.
What is the InChIKey of (1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one?
The InChIKey is KIXMQGXACFNMEM-HXUWFJFHSA-N. The full InChI is InChI=1S/C20H26O2/c1-12(2)16-11-14-9-8-13(3)15-7-6-10-19(4,5)20(22,17(14)15)18(16)21/h8-9,11-12,22H,6-7,10H2,1-5H3/t20-/m1/s1.
What are the key properties of (1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one?
(1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one has a molecular weight of 298.43 g/mol, XLogP of 4.17, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-1-hydroxy-8,13,13-trimethyl-3-propan-2-yltricyclo[7.4.1.05,14]tetradeca-3,5(14),6,8-tetraen-2-one is sourced from PubChem (CID 102264305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).