(3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate

C17H24O2 — CID 23629035

IUPAC(3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate
SMILESCC(=O)Oc1cc(C)c(C)c2c1CCC(C(C)C)C2
InChIInChI=1S/C17H24O2/c1-10(2)14-6-7-15-16(9-14)12(4)11(3)8-17(15)19-13(5)18/h8,10,14H,6-7,9H2,1-5H3
InChIKeyZNFDFQGBXBMJLX-UHFFFAOYSA-N
MW260.38 g/mol
LogP3.99
Rot. Bonds2

About (3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate

(3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate (PubChem CID 23629035) has the molecular formula C17H24O2 and a molecular weight of 260.38 g/mol. Its IUPAC name is (3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate.

Molecular Properties

Compound Name(3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate
PubChem CID23629035
Molecular FormulaC17H24O2
Molecular Weight260.38 g/mol
Exact Mass260.18
IUPAC Name(3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate
SMILESCC(=O)Oc1cc(C)c(C)c2c1CCC(C(C)C)C2
InChIInChI=1S/C17H24O2/c1-10(2)14-6-7-15-16(9-14)12(4)11(3)8-17(15)19-13(5)18/h8,10,14H,6-7,9H2,1-5H3
InChIKeyZNFDFQGBXBMJLX-UHFFFAOYSA-N
XLogP3.99
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 53.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate?
The IUPAC name of (3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate (CID 23629035) is (3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate.
What is the SMILES notation for (3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate?
The canonical SMILES for (3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate is CC(=O)Oc1cc(C)c(C)c2c1CCC(C(C)C)C2.
What is the InChIKey of (3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate?
The InChIKey is ZNFDFQGBXBMJLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24O2/c1-10(2)14-6-7-15-16(9-14)12(4)11(3)8-17(15)19-13(5)18/h8,10,14H,6-7,9H2,1-5H3.
What are the key properties of (3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate?
(3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate has a molecular weight of 260.38 g/mol, XLogP of 3.99, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (3,4-dimethyl-6-propan-2-yl-5,6,7,8-tetrahydronaphthalen-1-yl) acetate is sourced from PubChem (CID 23629035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).