8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one

C18H26O — CID 141082859

IUPAC8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
SMILESCC(=O)CCCCCCC1CCCc2ccccc21
InChIInChI=1S/C18H26O/c1-15(19)9-4-2-3-5-10-16-12-8-13-17-11-6-7-14-18(16)17/h6-7,11,14,16H,2-5,8-10,12-13H2,1H3
InChIKeyZRZZKQHRQIOLNE-UHFFFAOYSA-N
MW258.40 g/mol
LogP5.04
Rot. Bonds7

About 8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one

8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one (PubChem CID 141082859) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one.

Molecular Properties

Compound Name8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
PubChem CID141082859
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one
SMILESCC(=O)CCCCCCC1CCCc2ccccc21
InChIInChI=1S/C18H26O/c1-15(19)9-4-2-3-5-10-16-12-8-13-17-11-6-7-14-18(16)17/h6-7,11,14,16H,2-5,8-10,12-13H2,1H3
InChIKeyZRZZKQHRQIOLNE-UHFFFAOYSA-N
XLogP5.04
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500258.40
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

7-(1,2,3,4-tetrahydronaphthalen-1-yl)heptanoic acid
CID 70165962
5-(1,2,3,4-tetrahydronaphthalen-1-yl)pentanoic acid
CID 71387603
(1R)-1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
CID 129384630
1-(5-chloropentyl)-1,2,3,4-tetrahydronaphthalene
CID 10561836
1-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]-1,2,3,4-tetrahydronaphthalene
CID 15742901
4-(1,2,3,4-tetrahydronaphthalen-1-yl)butane-1-sulfonic acid
CID 142978184
5-pentyl-6,7,8,9-tetrahydro-5H-benzo[7]annulene
CID 58420594
(1R)-1-hexadecyl-2,3-dihydro-1H-indene
CID 98094176
1-(4-chloro-5-methylhexyl)-1,2,3,4-tetrahydronaphthalene
CID 64508890
4-(1,2,3,4-tetrahydronaphthalen-1-ylmethoxy)cyclohexane-1-carboxylic acid
CID 114450996
N-[2-(1,2,3,4-tetrahydronaphthalen-1-yl)ethyl]cyclopropanecarboxamide
CID 22922689
4-(7-bicyclo[4.2.0]octa-1,3,5-trienyl)butan-2-one
CID 79429274

Frequently Asked Questions

What is the IUPAC name of 8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one?
The IUPAC name of 8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one (CID 141082859) is 8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one.
What is the SMILES notation for 8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one?
The canonical SMILES for 8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one is CC(=O)CCCCCCC1CCCc2ccccc21.
What is the InChIKey of 8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one?
The InChIKey is ZRZZKQHRQIOLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-15(19)9-4-2-3-5-10-16-12-8-13-17-11-6-7-14-18(16)17/h6-7,11,14,16H,2-5,8-10,12-13H2,1H3.
What are the key properties of 8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one?
8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one has a molecular weight of 258.40 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,2,3,4-tetrahydronaphthalen-1-yl)octan-2-one is sourced from PubChem (CID 141082859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).