naphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate

C16H16O2 — CID 2827256

IUPACnaphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)CC1C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C16H16O2/c1-16(2)10-13(16)15(17)18-14-9-5-7-11-6-3-4-8-12(11)14/h3-9,13H,10H2,1-2H3
InChIKeyKYNHVOXLGDUPDI-UHFFFAOYSA-N
MW240.30 g/mol
LogP3.79
Rot. Bonds2

About naphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate

naphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 2827256) has the molecular formula C16H16O2 and a molecular weight of 240.30 g/mol. Its IUPAC name is naphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate
PubChem CID2827256
Molecular FormulaC16H16O2
Molecular Weight240.30 g/mol
Exact Mass240.12
IUPAC Namenaphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)CC1C(=O)Oc1cccc2ccccc12
InChIInChI=1S/C16H16O2/c1-16(2)10-13(16)15(17)18-14-9-5-7-11-6-3-4-8-12(11)14/h3-9,13H,10H2,1-2H3
InChIKeyKYNHVOXLGDUPDI-UHFFFAOYSA-N
XLogP3.79
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.30
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'phenol_ester', 'substructure': 'N/A'}

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Related Compounds

cis-naphthalen-1-yl (1S,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 27210138
naphthalen-1-yl N-methylcarbamate
CID 23447097
dinaphthalen-1-yl benzene-1,2-dicarboxylate
CID 14047654
ethane;naphthalen-1-yl 2-methylprop-2-enoate
CID 91365419
naphthalen-1-yl 2-methoxyacetate
CID 19894343
1-O-methyl 4-O-naphthalen-1-yl butanedioate
CID 6611153
naphthalen-1-yl (2R)-2-aminopropanoate
CID 18639263
naphthalen-1-yl (4R)-2,4-bis(4-hydroxyphenyl)cyclobutane-1-carboxylate
CID 145368265
naphthalen-1-yl 9H-xanthene-9-carboxylate
CID 7913801
(2R)-3-naphthalen-1-yloxycarbonyl-2,4-diphenylcyclobutane-1-carboxylic acid
CID 158508632
(1S,2S,3R)-2-(2-methoxyphenyl)-3-naphthalen-1-yloxycarbonylcyclobutane-1-carboxylic acid
CID 163249674
naphthalen-1-yl 2-chloroacetate
CID 588968

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of naphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate (CID 2827256) is naphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for naphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for naphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate is CC1(C)CC1C(=O)Oc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is KYNHVOXLGDUPDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16O2/c1-16(2)10-13(16)15(17)18-14-9-5-7-11-6-3-4-8-12(11)14/h3-9,13H,10H2,1-2H3.
What are the key properties of naphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate?
naphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 240.30 g/mol, XLogP of 3.79, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-yl 2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 2827256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).