methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate

C14H18O2 — CID 11806156

IUPACmethyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)C1Cc2ccccc2C(C)(C)C1
InChIInChI=1S/C14H18O2/c1-14(2)9-11(13(15)16-3)8-10-6-4-5-7-12(10)14/h4-7,11H,8-9H2,1-3H3
InChIKeySGGXRLXCTLDTGT-UHFFFAOYSA-N
MW218.30 g/mol
LogP2.70
Rot. Bonds1

About methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate

methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate (PubChem CID 11806156) has the molecular formula C14H18O2 and a molecular weight of 218.30 g/mol. Its IUPAC name is methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate
PubChem CID11806156
Molecular FormulaC14H18O2
Molecular Weight218.30 g/mol
Exact Mass218.13
IUPAC Namemethyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate
SMILESCOC(=O)C1Cc2ccccc2C(C)(C)C1
InChIInChI=1S/C14H18O2/c1-14(2)9-11(13(15)16-3)8-10-6-4-5-7-12(10)14/h4-7,11H,8-9H2,1-3H3
InChIKeySGGXRLXCTLDTGT-UHFFFAOYSA-N
XLogP2.70
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.30
LogP ≤ 52.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate?
The IUPAC name of methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate (CID 11806156) is methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate.
What is the SMILES notation for methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate?
The canonical SMILES for methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate is COC(=O)C1Cc2ccccc2C(C)(C)C1.
What is the InChIKey of methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate?
The InChIKey is SGGXRLXCTLDTGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18O2/c1-14(2)9-11(13(15)16-3)8-10-6-4-5-7-12(10)14/h4-7,11H,8-9H2,1-3H3.
What are the key properties of methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate?
methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate has a molecular weight of 218.30 g/mol, XLogP of 2.70, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,4-dimethyl-2,3-dihydro-1H-naphthalene-2-carboxylate is sourced from PubChem (CID 11806156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).