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

C15H18O2 — CID 116963958

IUPACmethyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C15H18O2/c1-17-14(16)15(8-9-15)13-7-6-11-4-2-3-5-12(11)10-13/h6-7,10H,2-5,8-9H2,1H3
InChIKeyZHDWMSVBRFLSDE-UHFFFAOYSA-N
MW230.31 g/mol
LogP2.77
Rot. Bonds2

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

methyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate (PubChem CID 116963958) has the molecular formula C15H18O2 and a molecular weight of 230.31 g/mol. Its IUPAC name is methyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate
PubChem CID116963958
Molecular FormulaC15H18O2
Molecular Weight230.31 g/mol
Exact Mass230.13
IUPAC Namemethyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate
SMILESCOC(=O)C1(c2ccc3c(c2)CCCC3)CC1
InChIInChI=1S/C15H18O2/c1-17-14(16)15(8-9-15)13-7-6-11-4-2-3-5-12(11)10-13/h6-7,10H,2-5,8-9H2,1H3
InChIKeyZHDWMSVBRFLSDE-UHFFFAOYSA-N
XLogP2.77
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.31
LogP ≤ 52.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-[1-(2,3-dihydro-1H-inden-5-yl)cyclopropyl]ethanone
CID 83686495
methyl 2-methyl-1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate
CID 116842922
methyl 1-(6-bromonaphthalen-2-yl)cyclopropane-1-carboxylate
CID 89448912
methyl 1-(1-acetyl-2,3-dihydroindol-6-yl)cyclopropane-1-carboxylate
CID 135262906
1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopentane-1-carboxylic acid
CID 117047079
methyl 1-(4-bromo-3-fluorophenyl)cyclopropane-1-carboxylate
CID 90298966
methyl 1-(3,4-difluorophenyl)cyclobutane-1-carboxylate
CID 116963872
methyl 1-(3-methylphenyl)cyclopropane-1-carboxylate
CID 105444214
methyl 1-(3-bromophenyl)cyclobutane-1-carboxylate
CID 75487937
methyl 1-(4-hydroxy-3-methoxyphenyl)cyclopentane-1-carboxylate
CID 146506690
methyl 1-(4-methylphenyl)cyclopentane-1-carboxylate
CID 59175396
methyl 1-(4-bromo-3-fluorophenyl)cyclobutane-1-carboxylate
CID 116989068

Frequently Asked Questions

What is the IUPAC name of methyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate (CID 116963958) is methyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate is COC(=O)C1(c2ccc3c(c2)CCCC3)CC1.
What is the InChIKey of methyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate?
The InChIKey is ZHDWMSVBRFLSDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18O2/c1-17-14(16)15(8-9-15)13-7-6-11-4-2-3-5-12(11)10-13/h6-7,10H,2-5,8-9H2,1H3.
What are the key properties of methyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate?
methyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate has a molecular weight of 230.31 g/mol, XLogP of 2.77, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-(5,6,7,8-tetrahydronaphthalen-2-yl)cyclopropane-1-carboxylate is sourced from PubChem (CID 116963958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).