1-(cyclohexylmethyl)acenaphthylene

C19H20 — CID 173091687

IUPAC1-(cyclohexylmethyl)acenaphthylene
SMILESC1=C(CC2CCCCC2)c2cccc3cccc1c23
InChIInChI=1S/C19H20/c1-2-6-14(7-3-1)12-17-13-16-10-4-8-15-9-5-11-18(17)19(15)16/h4-5,8-11,13-14H,1-3,6-7,12H2
InChIKeyCODJXFJSWIJALB-UHFFFAOYSA-N
MW248.37 g/mol
LogP5.66
Rot. Bonds2

About 1-(cyclohexylmethyl)acenaphthylene

1-(cyclohexylmethyl)acenaphthylene (PubChem CID 173091687) has the molecular formula C19H20 and a molecular weight of 248.37 g/mol. Its IUPAC name is 1-(cyclohexylmethyl)acenaphthylene.

Molecular Properties

Compound Name1-(cyclohexylmethyl)acenaphthylene
PubChem CID173091687
Molecular FormulaC19H20
Molecular Weight248.37 g/mol
Exact Mass248.16
IUPAC Name1-(cyclohexylmethyl)acenaphthylene
SMILESC1=C(CC2CCCCC2)c2cccc3cccc1c23
InChIInChI=1S/C19H20/c1-2-6-14(7-3-1)12-17-13-16-10-4-8-15-9-5-11-18(17)19(15)16/h4-5,8-11,13-14H,1-3,6-7,12H2
InChIKeyCODJXFJSWIJALB-UHFFFAOYSA-N
XLogP5.66
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500248.37
LogP ≤ 55.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

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Frequently Asked Questions

What is the IUPAC name of 1-(cyclohexylmethyl)acenaphthylene?
The IUPAC name of 1-(cyclohexylmethyl)acenaphthylene (CID 173091687) is 1-(cyclohexylmethyl)acenaphthylene.
What is the SMILES notation for 1-(cyclohexylmethyl)acenaphthylene?
The canonical SMILES for 1-(cyclohexylmethyl)acenaphthylene is C1=C(CC2CCCCC2)c2cccc3cccc1c23.
What is the InChIKey of 1-(cyclohexylmethyl)acenaphthylene?
The InChIKey is CODJXFJSWIJALB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20/c1-2-6-14(7-3-1)12-17-13-16-10-4-8-15-9-5-11-18(17)19(15)16/h4-5,8-11,13-14H,1-3,6-7,12H2.
What are the key properties of 1-(cyclohexylmethyl)acenaphthylene?
1-(cyclohexylmethyl)acenaphthylene has a molecular weight of 248.37 g/mol, XLogP of 5.66, 2 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(cyclohexylmethyl)acenaphthylene is sourced from PubChem (CID 173091687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).