(1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one

C14H22O — CID 135016246

IUPAC(1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one
SMILESCC(C)C1CC[C@@H](C)[C@@]23CCC(=O)C2[C@@H]13
InChIInChI=1S/C14H22O/c1-8(2)10-5-4-9(3)14-7-6-11(15)13(14)12(10)14/h8-10,12-13H,4-7H2,1-3H3/t9-,10?,12-,13?,14-/m1/s1
InChIKeyAECZTIGLSGLNBJ-IOBSYTOPSA-N
MW206.33 g/mol
LogP3.28
Rot. Bonds1

About (1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one

(1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one (PubChem CID 135016246) has the molecular formula C14H22O and a molecular weight of 206.33 g/mol. Its IUPAC name is (1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one.

Molecular Properties

Compound Name(1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one
PubChem CID135016246
Molecular FormulaC14H22O
Molecular Weight206.33 g/mol
Exact Mass206.17
IUPAC Name(1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one
SMILESCC(C)C1CC[C@@H](C)[C@@]23CCC(=O)C2[C@@H]13
InChIInChI=1S/C14H22O/c1-8(2)10-5-4-9(3)14-7-6-11(15)13(14)12(10)14/h8-10,12-13H,4-7H2,1-3H3/t9-,10?,12-,13?,14-/m1/s1
InChIKeyAECZTIGLSGLNBJ-IOBSYTOPSA-N
XLogP3.28
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.33
LogP ≤ 53.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Analyze (1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one with MolForge

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Related Compounds

(1R,5S,6S,7S,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one
CID 102420515
(1R,5S,6S,7R,10S)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]dec-3-ene
CID 162922247
(1R,4S,5R,6R,10R)-4,10-dimethyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-ol
CID 122541122
(4aR,4bS,5R,8S,8aS,10aR)-8,10a-dimethyl-4-methylidene-5-propan-2-yl-2,3,4a,4b,5,6,7,8,9,10-decahydro-1H-phenanthren-8a-ol
CID 132520355
(1R,5S,8S,11R)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane
CID 146204575
(1S,5S,8R,11S)-5,11-dimethyl-8-propan-2-yl-4-oxatetracyclo[5.4.0.01,6.03,5]undecane
CID 146204619
4,8-dihydroxy-4a-methyl-7-propan-2-yl-2,3,4,5,6,7,8,8a-octahydronaphthalen-1-one
CID 72974282
3a,4-dimethyl-2,3,4,5,6,6a-hexahydropentalen-1-one
CID 130038182
(4aR,5R,8S,8aR)-4a-hydroxy-5-methyl-8-propan-2-yl-4,5,6,7,8,8a-hexahydro-3H-naphthalene-2-carbaldehyde
CID 11390729
2-hydroxy-2-[(1S,2R,5R)-1-hydroxy-2-methyl-5-propan-2-ylcyclohexyl]cyclobutan-1-one
CID 10014531
(5R,6S,9R,10R)-3,6-dimethyl-9-propan-2-ylspiro[4.5]dec-3-en-10-ol
CID 135019810
(1S,2R,5S,6R,9R,12R,14R)-2,6-dimethyl-9-propan-2-yl-15-oxatetracyclo[10.2.1.01,10.05,14]pentadecan-13-one
CID 146167392

Frequently Asked Questions

What is the IUPAC name of (1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one?
The IUPAC name of (1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one (CID 135016246) is (1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one.
What is the SMILES notation for (1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one?
The canonical SMILES for (1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one is CC(C)C1CC[C@@H](C)[C@@]23CCC(=O)C2[C@@H]13.
What is the InChIKey of (1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one?
The InChIKey is AECZTIGLSGLNBJ-IOBSYTOPSA-N. The full InChI is InChI=1S/C14H22O/c1-8(2)10-5-4-9(3)14-7-6-11(15)13(14)12(10)14/h8-10,12-13H,4-7H2,1-3H3/t9-,10?,12-,13?,14-/m1/s1.
What are the key properties of (1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one?
(1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one has a molecular weight of 206.33 g/mol, XLogP of 3.28, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,6R,10R)-10-methyl-7-propan-2-yltricyclo[4.4.0.01,5]decan-4-one is sourced from PubChem (CID 135016246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).