1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol

C17H26O2 — CID 70500215

IUPAC1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol
SMILESCC(C)CC(O)COc1cccc2c1CCC2(C)C
InChIInChI=1S/C17H26O2/c1-12(2)10-13(18)11-19-16-7-5-6-15-14(16)8-9-17(15,3)4/h5-7,12-13,18H,8-11H2,1-4H3
InChIKeyTYCIHRNULFEGQZ-UHFFFAOYSA-N
MW262.39 g/mol
LogP3.70
Rot. Bonds5

About 1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol

1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol (PubChem CID 70500215) has the molecular formula C17H26O2 and a molecular weight of 262.39 g/mol. Its IUPAC name is 1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol.

Molecular Properties

Compound Name1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol
PubChem CID70500215
Molecular FormulaC17H26O2
Molecular Weight262.39 g/mol
Exact Mass262.19
IUPAC Name1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol
SMILESCC(C)CC(O)COc1cccc2c1CCC2(C)C
InChIInChI=1S/C17H26O2/c1-12(2)10-13(18)11-19-16-7-5-6-15-14(16)8-9-17(15,3)4/h5-7,12-13,18H,8-11H2,1-4H3
InChIKeyTYCIHRNULFEGQZ-UHFFFAOYSA-N
XLogP3.70
TPSA29.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol?
The IUPAC name of 1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol (CID 70500215) is 1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol.
What is the SMILES notation for 1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol?
The canonical SMILES for 1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol is CC(C)CC(O)COc1cccc2c1CCC2(C)C.
What is the InChIKey of 1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol?
The InChIKey is TYCIHRNULFEGQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26O2/c1-12(2)10-13(18)11-19-16-7-5-6-15-14(16)8-9-17(15,3)4/h5-7,12-13,18H,8-11H2,1-4H3.
What are the key properties of 1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol?
1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol has a molecular weight of 262.39 g/mol, XLogP of 3.70, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1,1-dimethyl-2,3-dihydroinden-4-yl)oxy]-4-methylpentan-2-ol is sourced from PubChem (CID 70500215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).