methyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate

C16H20O2 — CID 116842922

IUPACmethyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc3c(c2)CCCC3)CC1C
InChIInChI=1S/C16H20O2/c1-11-10-16(11,15(17)18-2)14-8-7-12-5-3-4-6-13(12)9-14/h7-9,11H,3-6,10H2,1-2H3
InChIKeyWZMFXMUQRSUGSA-UHFFFAOYSA-N
MW244.33 g/mol
LogP3.02
Rot. Bonds2

About methyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate

methyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate (PubChem CID 116842922) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is methyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate
PubChem CID116842922
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Namemethyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc3c(c2)CCCC3)CC1C
InChIInChI=1S/C16H20O2/c1-11-10-16(11,15(17)18-2)14-8-7-12-5-3-4-6-13(12)9-14/h7-9,11H,3-6,10H2,1-2H3
InChIKeyWZMFXMUQRSUGSA-UHFFFAOYSA-N
XLogP3.02
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.33
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate (CID 116842922) is methyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate is COC(=O)C1(c2ccc3c(c2)CCCC3)CC1C.
What is the InChIKey of methyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate?
The InChIKey is WZMFXMUQRSUGSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20O2/c1-11-10-16(11,15(17)18-2)14-8-7-12-5-3-4-6-13(12)9-14/h7-9,11H,3-6,10H2,1-2H3.
What are the key properties of methyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate?
methyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate has a molecular weight of 244.33 g/mol, XLogP of 3.02, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 116842922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).