7,8-dihydronaphthalen-2-yl 4-methyl-2-propan-2-ylpentanoate

C19H26O2 — CID 145198456

IUPAC7,8-dihydronaphthalen-2-yl 4-methyl-2-propan-2-ylpentanoate
SMILESCC(C)CC(C(=O)Oc1ccc2c(c1)CCC=C2)C(C)C
InChIInChI=1S/C19H26O2/c1-13(2)11-18(14(3)4)19(20)21-17-10-9-15-7-5-6-8-16(15)12-17/h5,7,9-10,12-14,18H,6,8,11H2,1-4H3
InChIKeyFUIVIDGVRFYQHW-UHFFFAOYSA-N
MW286.41 g/mol
LogP4.87
Rot. Bonds5

About 7,8-dihydronaphthalen-2-yl 4-methyl-2-propan-2-ylpentanoate

7,8-dihydronaphthalen-2-yl 4-methyl-2-propan-2-ylpentanoate (PubChem CID 145198456) has the molecular formula C19H26O2 and a molecular weight of 286.41 g/mol. Its IUPAC name is 7,8-dihydronaphthalen-2-yl 4-methyl-2-propan-2-ylpentanoate.

Molecular Properties

Compound Name7,8-dihydronaphthalen-2-yl 4-methyl-2-propan-2-ylpentanoate
PubChem CID145198456
Molecular FormulaC19H26O2
Molecular Weight286.41 g/mol
Exact Mass286.19
IUPAC Name7,8-dihydronaphthalen-2-yl 4-methyl-2-propan-2-ylpentanoate
SMILESCC(C)CC(C(=O)Oc1ccc2c(c1)CCC=C2)C(C)C
InChIInChI=1S/C19H26O2/c1-13(2)11-18(14(3)4)19(20)21-17-10-9-15-7-5-6-8-16(15)12-17/h5,7,9-10,12-14,18H,6,8,11H2,1-4H3
InChIKeyFUIVIDGVRFYQHW-UHFFFAOYSA-N
XLogP4.87
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.41
LogP ≤ 54.87
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 7,8-dihydronaphthalen-2-yl 4-methyl-2-propan-2-ylpentanoate?
The IUPAC name of 7,8-dihydronaphthalen-2-yl 4-methyl-2-propan-2-ylpentanoate (CID 145198456) is 7,8-dihydronaphthalen-2-yl 4-methyl-2-propan-2-ylpentanoate.
What is the SMILES notation for 7,8-dihydronaphthalen-2-yl 4-methyl-2-propan-2-ylpentanoate?
The canonical SMILES for 7,8-dihydronaphthalen-2-yl 4-methyl-2-propan-2-ylpentanoate is CC(C)CC(C(=O)Oc1ccc2c(c1)CCC=C2)C(C)C.
What is the InChIKey of 7,8-dihydronaphthalen-2-yl 4-methyl-2-propan-2-ylpentanoate?
The InChIKey is FUIVIDGVRFYQHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26O2/c1-13(2)11-18(14(3)4)19(20)21-17-10-9-15-7-5-6-8-16(15)12-17/h5,7,9-10,12-14,18H,6,8,11H2,1-4H3.
What are the key properties of 7,8-dihydronaphthalen-2-yl 4-methyl-2-propan-2-ylpentanoate?
7,8-dihydronaphthalen-2-yl 4-methyl-2-propan-2-ylpentanoate has a molecular weight of 286.41 g/mol, XLogP of 4.87, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 7,8-dihydronaphthalen-2-yl 4-methyl-2-propan-2-ylpentanoate is sourced from PubChem (CID 145198456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).