1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one

C19H28O2 — CID 90261173

IUPAC1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one
SMILESCCCCC(=O)c1cc2c(cc1O)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H28O2/c1-6-7-8-16(20)13-11-14-15(12-17(13)21)19(4,5)10-9-18(14,2)3/h11-12,21H,6-10H2,1-5H3
InChIKeyVNHAWJOTOBDHPE-UHFFFAOYSA-N
MW288.43 g/mol
LogP5.11
Rot. Bonds4

About 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one

1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one (PubChem CID 90261173) has the molecular formula C19H28O2 and a molecular weight of 288.43 g/mol. Its IUPAC name is 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one
PubChem CID90261173
Molecular FormulaC19H28O2
Molecular Weight288.43 g/mol
Exact Mass288.21
IUPAC Name1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one
SMILESCCCCC(=O)c1cc2c(cc1O)C(C)(C)CCC2(C)C
InChIInChI=1S/C19H28O2/c1-6-7-8-16(20)13-11-14-15(12-17(13)21)19(4,5)10-9-18(14,2)3/h11-12,21H,6-10H2,1-5H3
InChIKeyVNHAWJOTOBDHPE-UHFFFAOYSA-N
XLogP5.11
TPSA37.30 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500288.43
LogP ≤ 55.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one?
The IUPAC name of 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one (CID 90261173) is 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one.
What is the SMILES notation for 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one?
The canonical SMILES for 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one is CCCCC(=O)c1cc2c(cc1O)C(C)(C)CCC2(C)C.
What is the InChIKey of 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one?
The InChIKey is VNHAWJOTOBDHPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H28O2/c1-6-7-8-16(20)13-11-14-15(12-17(13)21)19(4,5)10-9-18(14,2)3/h11-12,21H,6-10H2,1-5H3.
What are the key properties of 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one?
1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one has a molecular weight of 288.43 g/mol, XLogP of 5.11, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxy-5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)pentan-1-one is sourced from PubChem (CID 90261173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).