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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Related Compounds

7-[(2-methylpropan-2-yl)oxy]-1,2-dihydronaphthalene
CID 135290511
7-(2,2,2-trifluoroethoxy)-1,2-dihydronaphthalene
CID 150898960
6-propan-2-yloxy-1H-indene
CID 175850570
7-methyl-1,2-dihydronaphthalene
CID 123252357
2,3-dihydro-1H-inden-5-yl 2-amino-3-methylbutanoate
CID 82116252
7-tert-butyl-1,2-dihydronaphthalene
CID 58093565
6-(2-methylpropyl)-1,2-dihydroanthracene
CID 141269384
3H-inden-5-yl benzoate
CID 59450529
N-methyl-N-(1-pyridin-4-ylethyl)-7,8-dihydronaphthalene-2-carboxamide
CID 102563215
2-(7,8-dihydronaphthalene-2-carbonyloxy)-1,1,3,3,3-pentafluoropropane-1-sulfonic acid
CID 123871920
N-methyl-N-(4-phenylphenyl)-7,8-dihydronaphthalen-2-amine
CID 70877215
9H-benzo[7]annulen-2-yl 2,2-dimethylpropanoate
CID 154023588

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).