1-(1,1,3,4,4,6-hexamethyl-2,3-dihydronaphthalen-2-yl)ethanone

C18H26O — CID 22311768

IUPAC1-(1,1,3,4,4,6-hexamethyl-2,3-dihydronaphthalen-2-yl)ethanone
SMILESCC(=O)C1C(C)C(C)(C)c2cc(C)ccc2C1(C)C
InChIInChI=1S/C18H26O/c1-11-8-9-14-15(10-11)17(4,5)12(2)16(13(3)19)18(14,6)7/h8-10,12,16H,1-7H3
InChIKeyNFHFVSBMGRCMMB-UHFFFAOYSA-N
MW258.40 g/mol
LogP4.41
Rot. Bonds1

About 1-(1,1,3,4,4,6-hexamethyl-2,3-dihydronaphthalen-2-yl)ethanone

1-(1,1,3,4,4,6-hexamethyl-2,3-dihydronaphthalen-2-yl)ethanone (PubChem CID 22311768) has the molecular formula C18H26O and a molecular weight of 258.40 g/mol. Its IUPAC name is 1-(1,1,3,4,4,6-hexamethyl-2,3-dihydronaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(1,1,3,4,4,6-hexamethyl-2,3-dihydronaphthalen-2-yl)ethanone
PubChem CID22311768
Molecular FormulaC18H26O
Molecular Weight258.40 g/mol
Exact Mass258.20
IUPAC Name1-(1,1,3,4,4,6-hexamethyl-2,3-dihydronaphthalen-2-yl)ethanone
SMILESCC(=O)C1C(C)C(C)(C)c2cc(C)ccc2C1(C)C
InChIInChI=1S/C18H26O/c1-11-8-9-14-15(10-11)17(4,5)12(2)16(13(3)19)18(14,6)7/h8-10,12,16H,1-7H3
InChIKeyNFHFVSBMGRCMMB-UHFFFAOYSA-N
XLogP4.41
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.40
LogP ≤ 54.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(1,1,3,4,4,6-hexamethyl-2,3-dihydronaphthalen-2-yl)ethanone?
The IUPAC name of 1-(1,1,3,4,4,6-hexamethyl-2,3-dihydronaphthalen-2-yl)ethanone (CID 22311768) is 1-(1,1,3,4,4,6-hexamethyl-2,3-dihydronaphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(1,1,3,4,4,6-hexamethyl-2,3-dihydronaphthalen-2-yl)ethanone?
The canonical SMILES for 1-(1,1,3,4,4,6-hexamethyl-2,3-dihydronaphthalen-2-yl)ethanone is CC(=O)C1C(C)C(C)(C)c2cc(C)ccc2C1(C)C.
What is the InChIKey of 1-(1,1,3,4,4,6-hexamethyl-2,3-dihydronaphthalen-2-yl)ethanone?
The InChIKey is NFHFVSBMGRCMMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26O/c1-11-8-9-14-15(10-11)17(4,5)12(2)16(13(3)19)18(14,6)7/h8-10,12,16H,1-7H3.
What are the key properties of 1-(1,1,3,4,4,6-hexamethyl-2,3-dihydronaphthalen-2-yl)ethanone?
1-(1,1,3,4,4,6-hexamethyl-2,3-dihydronaphthalen-2-yl)ethanone has a molecular weight of 258.40 g/mol, XLogP of 4.41, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1,1,3,4,4,6-hexamethyl-2,3-dihydronaphthalen-2-yl)ethanone is sourced from PubChem (CID 22311768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).