1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone

C14H20O — CID 71330732

IUPAC1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone
SMILESCC(=O)C1=CC2=C(CCCC2)CC1(C)C
InChIInChI=1S/C14H20O/c1-10(15)13-8-11-6-4-5-7-12(11)9-14(13,2)3/h8H,4-7,9H2,1-3H3
InChIKeyDSLZKSKNOZIOIO-UHFFFAOYSA-N
MW204.31 g/mol
LogP3.80
Rot. Bonds1

About 1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone

1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone (PubChem CID 71330732) has the molecular formula C14H20O and a molecular weight of 204.31 g/mol. Its IUPAC name is 1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone.

Molecular Properties

Compound Name1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone
PubChem CID71330732
Molecular FormulaC14H20O
Molecular Weight204.31 g/mol
Exact Mass204.15
IUPAC Name1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone
SMILESCC(=O)C1=CC2=C(CCCC2)CC1(C)C
InChIInChI=1S/C14H20O/c1-10(15)13-8-11-6-4-5-7-12(11)9-14(13,2)3/h8H,4-7,9H2,1-3H3
InChIKeyDSLZKSKNOZIOIO-UHFFFAOYSA-N
XLogP3.80
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.31
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone?
The IUPAC name of 1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone (CID 71330732) is 1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone.
What is the SMILES notation for 1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone?
The canonical SMILES for 1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone is CC(=O)C1=CC2=C(CCCC2)CC1(C)C.
What is the InChIKey of 1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone?
The InChIKey is DSLZKSKNOZIOIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20O/c1-10(15)13-8-11-6-4-5-7-12(11)9-14(13,2)3/h8H,4-7,9H2,1-3H3.
What are the key properties of 1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone?
1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone has a molecular weight of 204.31 g/mol, XLogP of 3.80, 1 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,3-dimethyl-5,6,7,8-tetrahydro-4H-naphthalen-2-yl)ethanone is sourced from PubChem (CID 71330732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).