1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol

C16H24O — CID 65410779

IUPAC1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCC(O)C1Cc2ccccc2C1
InChIInChI=1S/C16H24O/c1-16(2,3)9-8-15(17)14-10-12-6-4-5-7-13(12)11-14/h4-7,14-15,17H,8-11H2,1-3H3
InChIKeyNIPWQBUGVWYUOH-UHFFFAOYSA-N
MW232.37 g/mol
LogP3.59
Rot. Bonds3

About 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol

1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol (PubChem CID 65410779) has the molecular formula C16H24O and a molecular weight of 232.37 g/mol. Its IUPAC name is 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol.

Molecular Properties

Compound Name1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol
PubChem CID65410779
Molecular FormulaC16H24O
Molecular Weight232.37 g/mol
Exact Mass232.18
IUPAC Name1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol
SMILESCC(C)(C)CCC(O)C1Cc2ccccc2C1
InChIInChI=1S/C16H24O/c1-16(2,3)9-8-15(17)14-10-12-6-4-5-7-13(12)11-14/h4-7,14-15,17H,8-11H2,1-3H3
InChIKeyNIPWQBUGVWYUOH-UHFFFAOYSA-N
XLogP3.59
TPSA20.23 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.37
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol?
The IUPAC name of 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol (CID 65410779) is 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol.
What is the SMILES notation for 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol?
The canonical SMILES for 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol is CC(C)(C)CCC(O)C1Cc2ccccc2C1.
What is the InChIKey of 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol?
The InChIKey is NIPWQBUGVWYUOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O/c1-16(2,3)9-8-15(17)14-10-12-6-4-5-7-13(12)11-14/h4-7,14-15,17H,8-11H2,1-3H3.
What are the key properties of 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol?
1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol has a molecular weight of 232.37 g/mol, XLogP of 3.59, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,3-dihydro-1H-inden-2-yl)-4,4-dimethylpentan-1-ol is sourced from PubChem (CID 65410779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).