6-naphthalen-2-ylhept-6-en-3-one

C17H18O — CID 102346591

IUPAC6-naphthalen-2-ylhept-6-en-3-one
SMILESC=C(CCC(=O)CC)c1ccc2ccccc2c1
InChIInChI=1S/C17H18O/c1-3-17(18)11-8-13(2)15-10-9-14-6-4-5-7-16(14)12-15/h4-7,9-10,12H,2-3,8,11H2,1H3
InChIKeyAHRMOQMKXBCNIW-UHFFFAOYSA-N
MW238.33 g/mol
LogP4.61
Rot. Bonds5

About 6-naphthalen-2-ylhept-6-en-3-one

6-naphthalen-2-ylhept-6-en-3-one (PubChem CID 102346591) has the molecular formula C17H18O and a molecular weight of 238.33 g/mol. Its IUPAC name is 6-naphthalen-2-ylhept-6-en-3-one.

Molecular Properties

Compound Name6-naphthalen-2-ylhept-6-en-3-one
PubChem CID102346591
Molecular FormulaC17H18O
Molecular Weight238.33 g/mol
Exact Mass238.14
IUPAC Name6-naphthalen-2-ylhept-6-en-3-one
SMILESC=C(CCC(=O)CC)c1ccc2ccccc2c1
InChIInChI=1S/C17H18O/c1-3-17(18)11-8-13(2)15-10-9-14-6-4-5-7-16(14)12-15/h4-7,9-10,12H,2-3,8,11H2,1H3
InChIKeyAHRMOQMKXBCNIW-UHFFFAOYSA-N
XLogP4.61
TPSA17.07 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Related Compounds

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ethane;naphthalene-2-carboxylic acid;propane
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propanoyl naphthalene-2-carboxylate
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CID 175020259
CID 175020259
1-naphthalen-2-yl-2-[4-(2-naphthalen-2-yl-2-oxoacetyl)phenyl]ethane-1,2-dione
CID 10939145
dinaphthalen-2-ylmethanone
CID 10945915
formaldehyde;naphthalene-2-carboxylic acid
CID 86738660
5-naphthalen-2-yl-3-phenylhex-5-enoic acid
CID 89077119
naphthalene-2-carboxylic acid
CID 175967775
ethyl 2-(naphthalene-2-carbonylamino)prop-2-enoate
CID 167435011
ethane;naphthalene-2-carbohydrazide
CID 91601372
N-ethyl-4-naphthalen-2-yl-4-oxobutanamide
CID 9076388

Frequently Asked Questions

What is the IUPAC name of 6-naphthalen-2-ylhept-6-en-3-one?
The IUPAC name of 6-naphthalen-2-ylhept-6-en-3-one (CID 102346591) is 6-naphthalen-2-ylhept-6-en-3-one.
What is the SMILES notation for 6-naphthalen-2-ylhept-6-en-3-one?
The canonical SMILES for 6-naphthalen-2-ylhept-6-en-3-one is C=C(CCC(=O)CC)c1ccc2ccccc2c1.
What is the InChIKey of 6-naphthalen-2-ylhept-6-en-3-one?
The InChIKey is AHRMOQMKXBCNIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18O/c1-3-17(18)11-8-13(2)15-10-9-14-6-4-5-7-16(14)12-15/h4-7,9-10,12H,2-3,8,11H2,1H3.
What are the key properties of 6-naphthalen-2-ylhept-6-en-3-one?
6-naphthalen-2-ylhept-6-en-3-one has a molecular weight of 238.33 g/mol, XLogP of 4.61, 5 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 6-naphthalen-2-ylhept-6-en-3-one is sourced from PubChem (CID 102346591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).