2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid

C17H28O2 — CID 129018732

IUPAC2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid
SMILESCC(C)C1CCC2(C)C3CCC(C(C)C(=O)O)C2C13
InChIInChI=1S/C17H28O2/c1-9(2)11-7-8-17(4)13-6-5-12(10(3)16(18)19)15(17)14(11)13/h9-15H,5-8H2,1-4H3,(H,18,19)
InChIKeyFYVXZSOKXIOBOT-UHFFFAOYSA-N
MW264.41 g/mol
LogP4.05
Rot. Bonds3

About 2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid

2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid (PubChem CID 129018732) has the molecular formula C17H28O2 and a molecular weight of 264.41 g/mol. Its IUPAC name is 2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid.

Molecular Properties

Compound Name2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid
PubChem CID129018732
Molecular FormulaC17H28O2
Molecular Weight264.41 g/mol
Exact Mass264.21
IUPAC Name2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid
SMILESCC(C)C1CCC2(C)C3CCC(C(C)C(=O)O)C2C13
InChIInChI=1S/C17H28O2/c1-9(2)11-7-8-17(4)13-6-5-12(10(3)16(18)19)15(17)14(11)13/h9-15H,5-8H2,1-4H3,(H,18,19)
InChIKeyFYVXZSOKXIOBOT-UHFFFAOYSA-N
XLogP4.05
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.41
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

1-methyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-3-ene-3-carboxylic acid
CID 148847183
(1S,3aR,4R,7S,7aS)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroindene-1-carbaldehyde
CID 163049287
1-[(3aR,4R,7aS)-4-hydroxy-4-methyl-7-propan-2-yl-1,2,3,3a,5,6,7,7a-octahydroinden-1-yl]ethanone
CID 154790342
(2R)-2-[(1R,3aR,5aR,5bR,9R,11aR)-9-hydroxy-3a,5a,5b,8,8,11a-hexamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]propanoic acid
CID 78426893
1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 519779
(1S,6R,7R)-1-methyl-3-methylidene-8-propan-2-yltricyclo[4.4.0.02,7]decane
CID 25244198
(2S)-2-[(1R,3aR,5aR,5bS,7aR,9S,11aS,11bR,13aS,13bS)-9-hydroxy-3a-(hydroxymethyl)-5a,5b,8,8,11a-pentamethyl-1,2,3,4,5,6,7,7a,9,10,11,11b,12,13,13a,13b-hexadecahydrocyclopenta[a]chrysen-1-yl]propanoic acid
CID 11944899
1-(3-hydroxy-1-methyl-4-propan-2-ylcyclohexyl)ethanone;2-hydroxypropanoic acid
CID 174561950
(1R,2R,3S,6S,7S,9S,11R,12S,14S)-12-(hydroxymethyl)-6,9-dimethyl-3-propan-2-yltetracyclo[7.5.0.02,6.012,14]tetradecane-7,11-diol
CID 10881818
(1R,2S,5S,6R,7R,8R)-2,8-dimethyl-5-propan-2-yltricyclo[4.4.0.02,8]decan-7-ol
CID 162810997
(2S)-2-[(1R,5S)-6-oxabicyclo[3.1.0]hexan-2-yl]propanoic acid
CID 57371256
(1R,3R,7S,8S)-1,5-dimethyl-8-propan-2-yltricyclo[4.4.0.02,7]dec-4-en-3-ol
CID 162844275

Frequently Asked Questions

What is the IUPAC name of 2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid?
The IUPAC name of 2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid (CID 129018732) is 2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid.
What is the SMILES notation for 2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid?
The canonical SMILES for 2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid is CC(C)C1CCC2(C)C3CCC(C(C)C(=O)O)C2C13.
What is the InChIKey of 2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid?
The InChIKey is FYVXZSOKXIOBOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28O2/c1-9(2)11-7-8-17(4)13-6-5-12(10(3)16(18)19)15(17)14(11)13/h9-15H,5-8H2,1-4H3,(H,18,19).
What are the key properties of 2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid?
2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid has a molecular weight of 264.41 g/mol, XLogP of 4.05, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methyl-8-propan-2-yl-3-tricyclo[4.4.0.02,7]decanyl)propanoic acid is sourced from PubChem (CID 129018732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).