2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid

C17H18O2 — CID 114229341

IUPAC2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1(C)c1cccc2ccccc12
InChIInChI=1S/C17H18O2/c1-16(2)14(15(18)19)17(16,3)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,1-3H3,(H,18,19)
InChIKeyUMQDUSAXQKWPKR-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.84
Rot. Bonds2

About 2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid

2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid (PubChem CID 114229341) has the molecular formula C17H18O2 and a molecular weight of 254.33 g/mol. Its IUPAC name is 2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid.

Molecular Properties

Compound Name2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid
PubChem CID114229341
Molecular FormulaC17H18O2
Molecular Weight254.33 g/mol
Exact Mass254.13
IUPAC Name2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid
SMILESCC1(C)C(C(=O)O)C1(C)c1cccc2ccccc12
InChIInChI=1S/C17H18O2/c1-16(2)14(15(18)19)17(16,3)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,1-3H3,(H,18,19)
InChIKeyUMQDUSAXQKWPKR-UHFFFAOYSA-N
XLogP3.84
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

(1S)-2,2-dimethyl-1H-acenaphthylene-1-carboxylic acid
CID 125481192
(2,2-dimethyl-1-naphthalen-1-ylcyclopropyl)methanol
CID 116842745
carbonic acid;1-methylnaphthalene
CID 66808059
N'-methyl-1-naphthalen-1-ylcyclopropane-1-carbohydrazide
CID 116847393
sodium;hydride;(2S,3S,4S,5R,6R)-3,4,5,6-tetrahydroxy-2-naphthalen-1-yloxane-2-carboxylic acid
CID 174814579
2,2-dimethyl-1-naphthalen-1-ylcyclopentan-1-ol
CID 79863482
1-(11-methyl-11-naphthalen-1-yl-10-oxatricyclo[7.2.1.02,7]dodeca-2,4,6-trien-8-yl)ethanone
CID 101276131
acetic acid;chrysene
CID 175201446
2-(2,2,3,3-tetramethylcyclopropyl)naphthalen-1-amine
CID 101443770
acetic acid;2-naphthalen-1-ylacetic acid
CID 67744523
naphthalen-1-ol;propanoic acid
CID 19792721
2-(2-hydroxy-1-naphthalen-1-yl-2H-naphthalen-1-yl)acetic acid
CID 175533519

Frequently Asked Questions

What is the IUPAC name of 2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid?
The IUPAC name of 2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid (CID 114229341) is 2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid.
What is the SMILES notation for 2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid?
The canonical SMILES for 2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid is CC1(C)C(C(=O)O)C1(C)c1cccc2ccccc12.
What is the InChIKey of 2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid?
The InChIKey is UMQDUSAXQKWPKR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O2/c1-16(2)14(15(18)19)17(16,3)13-10-6-8-11-7-4-5-9-12(11)13/h4-10,14H,1-3H3,(H,18,19).
What are the key properties of 2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid?
2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid has a molecular weight of 254.33 g/mol, XLogP of 3.84, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,3-trimethyl-3-naphthalen-1-ylcyclopropane-1-carboxylic acid is sourced from PubChem (CID 114229341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).