[(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate

C16H20O2 — CID 14681772

IUPAC[(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate
SMILESC=C(C)[C@@H]1CCc2ccc(OC(C)=O)c(C)c2C1
InChIInChI=1S/C16H20O2/c1-10(2)14-6-5-13-7-8-16(18-12(4)17)11(3)15(13)9-14/h7-8,14H,1,5-6,9H2,2-4H3/t14-/m1/s1
InChIKeyHNUDKGDGBHFVGV-CQSZACIVSA-N
MW244.33 g/mol
LogP3.60
Rot. Bonds2

About [(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate

[(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate (PubChem CID 14681772) has the molecular formula C16H20O2 and a molecular weight of 244.33 g/mol. Its IUPAC name is [(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate.

Molecular Properties

Compound Name[(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate
PubChem CID14681772
Molecular FormulaC16H20O2
Molecular Weight244.33 g/mol
Exact Mass244.15
IUPAC Name[(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate
SMILESC=C(C)[C@@H]1CCc2ccc(OC(C)=O)c(C)c2C1
InChIInChI=1S/C16H20O2/c1-10(2)14-6-5-13-7-8-16(18-12(4)17)11(3)15(13)9-14/h7-8,14H,1,5-6,9H2,2-4H3/t14-/m1/s1
InChIKeyHNUDKGDGBHFVGV-CQSZACIVSA-N
XLogP3.60
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 ≤ 53.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of [(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate?
The IUPAC name of [(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate (CID 14681772) is [(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate.
What is the SMILES notation for [(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate?
The canonical SMILES for [(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate is C=C(C)[C@@H]1CCc2ccc(OC(C)=O)c(C)c2C1.
What is the InChIKey of [(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate?
The InChIKey is HNUDKGDGBHFVGV-CQSZACIVSA-N. The full InChI is InChI=1S/C16H20O2/c1-10(2)14-6-5-13-7-8-16(18-12(4)17)11(3)15(13)9-14/h7-8,14H,1,5-6,9H2,2-4H3/t14-/m1/s1.
What are the key properties of [(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate?
[(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate has a molecular weight of 244.33 g/mol, XLogP of 3.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [(7R)-1-methyl-7-prop-1-en-2-yl-5,6,7,8-tetrahydronaphthalen-2-yl] acetate is sourced from PubChem (CID 14681772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).