naphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

C19H18Cl2O2 — CID 134096567

IUPACnaphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc2ccccc12
InChIInChI=1S/C19H18Cl2O2/c1-19(2)15(10-16(20)21)17(19)18(22)23-11-13-8-5-7-12-6-3-4-9-14(12)13/h3-10,15,17H,11H2,1-2H3
InChIKeyAJGDAHGEZDNKMW-UHFFFAOYSA-N
MW349.26 g/mol
LogP5.47
Rot. Bonds4

About naphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate

naphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (PubChem CID 134096567) has the molecular formula C19H18Cl2O2 and a molecular weight of 349.26 g/mol. Its IUPAC name is naphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.

Molecular Properties

Compound Namenaphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
PubChem CID134096567
Molecular FormulaC19H18Cl2O2
Molecular Weight349.26 g/mol
Exact Mass348.07
IUPAC Namenaphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
SMILESCC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc2ccccc12
InChIInChI=1S/C19H18Cl2O2/c1-19(2)15(10-16(20)21)17(19)18(22)23-11-13-8-5-7-12-6-3-4-9-14(12)13/h3-10,15,17H,11H2,1-2H3
InChIKeyAJGDAHGEZDNKMW-UHFFFAOYSA-N
XLogP5.47
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500349.26
LogP ≤ 55.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

(3-benzylphenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 12944761
(2-methyl-3-phenylphenyl)methyl 3-[(E)-2-chloroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 20605263
trans-(2-chloro-6-methylphenyl)methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 154164961
(2,4-difluorophenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88762582
cis-[3-(2,2-dichloroethenyl)-2-methylphenyl]methyl (1R,3S)-3-(2-chloro-3,3,3-trifluoroprop-1-enyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88521546
(2-methyl-3-phenylphenyl)methyl (1R)-3-[(Z)-2-chloro-3,3,3-trifluoroprop-1-enyl]-2,2-dimethylcyclopropane-1-carboxylate
CID 13187215
cis-(1R,3S)-3-(2,2-dichloroethenyl)-2,2-dimethyl-N-naphthalen-1-ylcyclopropane-1-carboxamide
CID 679853
2-[3-[[3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropanecarbonyl]oxymethyl]phenoxy]acetic acid
CID 139896329
(4-chloro-2-nitrophenyl)methyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 134116443
trans-[3-(4-fluorophenyl)phenyl]methyl (1R,3R)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 54249336
trans-(2,6-difluoro-3-phenylphenyl)methyl (1S,3S)-3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 88691520
naphthalen-1-ylmethyl propanoate
CID 13262702

Frequently Asked Questions

What is the IUPAC name of naphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The IUPAC name of naphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate (CID 134096567) is naphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate.
What is the SMILES notation for naphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The canonical SMILES for naphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is CC1(C)C(C=C(Cl)Cl)C1C(=O)OCc1cccc2ccccc12.
What is the InChIKey of naphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
The InChIKey is AJGDAHGEZDNKMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18Cl2O2/c1-19(2)15(10-16(20)21)17(19)18(22)23-11-13-8-5-7-12-6-3-4-9-14(12)13/h3-10,15,17H,11H2,1-2H3.
What are the key properties of naphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate?
naphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate has a molecular weight of 349.26 g/mol, XLogP of 5.47, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for naphthalen-1-ylmethyl 3-(2,2-dichloroethenyl)-2,2-dimethylcyclopropane-1-carboxylate is sourced from PubChem (CID 134096567), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).