[6-(4-ethylcyclohexen-1-yl)naphthalen-2-yl] pentanoate

C23H28O2 — CID 20500605

IUPAC[6-(4-ethylcyclohexen-1-yl)naphthalen-2-yl] pentanoate
SMILESCCCCC(=O)Oc1ccc2cc(C3=CCC(CC)CC3)ccc2c1
InChIInChI=1S/C23H28O2/c1-3-5-6-23(24)25-22-14-13-20-15-19(11-12-21(20)16-22)18-9-7-17(4-2)8-10-18/h9,11-17H,3-8,10H2,1-2H3
InChIKeyDHNCCAFULBKODQ-UHFFFAOYSA-N
MW336.48 g/mol
LogP6.53
Rot. Bonds6

About [6-(4-ethylcyclohexen-1-yl)naphthalen-2-yl] pentanoate

[6-(4-ethylcyclohexen-1-yl)naphthalen-2-yl] pentanoate (PubChem CID 20500605) has the molecular formula C23H28O2 and a molecular weight of 336.48 g/mol. Its IUPAC name is [6-(4-ethylcyclohexen-1-yl)naphthalen-2-yl] pentanoate.

Molecular Properties

Compound Name[6-(4-ethylcyclohexen-1-yl)naphthalen-2-yl] pentanoate
PubChem CID20500605
Molecular FormulaC23H28O2
Molecular Weight336.48 g/mol
Exact Mass336.21
IUPAC Name[6-(4-ethylcyclohexen-1-yl)naphthalen-2-yl] pentanoate
SMILESCCCCC(=O)Oc1ccc2cc(C3=CCC(CC)CC3)ccc2c1
InChIInChI=1S/C23H28O2/c1-3-5-6-23(24)25-22-14-13-20-15-19(11-12-21(20)16-22)18-9-7-17(4-2)8-10-18/h9,11-17H,3-8,10H2,1-2H3
InChIKeyDHNCCAFULBKODQ-UHFFFAOYSA-N
XLogP6.53
TPSA26.30 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500336.48
LogP ≤ 56.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

[6-(4-octylcyclohexen-1-yl)naphthalen-2-yl] pentanoate
CID 20500547
[6-(4-heptylcyclohexen-1-yl)naphthalen-2-yl] acetate
CID 20500645
[4-(4-butylcyclohexen-1-yl)phenyl] butanoate
CID 57232993
[6-(4-ethylcyclohexyl)naphthalen-2-yl] pentanoate
CID 20500683
2-(4-heptylcyclohexen-1-yl)-6-methoxynaphthalene
CID 20500113
1-(4-ethylcyclohexen-1-yl)-4-heptoxybenzene
CID 57220196
2-(4-butylcyclohexen-1-yl)-6-propylnaphthalene
CID 20500411
(7-methoxynaphthalen-2-yl) hexanoate
CID 60592520
2-ethyl-6-(4-heptylcyclohexen-1-yl)naphthalene
CID 20500322
2-hexoxy-6-(4-methylcyclohexen-1-yl)naphthalene
CID 20500667
[6-(4-heptylcyclohexyl)naphthalen-2-yl] pentanoate
CID 20500391
2-hexyl-6-(4-propylcyclohexen-1-yl)naphthalene
CID 20500630

Frequently Asked Questions

What is the IUPAC name of [6-(4-ethylcyclohexen-1-yl)naphthalen-2-yl] pentanoate?
The IUPAC name of [6-(4-ethylcyclohexen-1-yl)naphthalen-2-yl] pentanoate (CID 20500605) is [6-(4-ethylcyclohexen-1-yl)naphthalen-2-yl] pentanoate.
What is the SMILES notation for [6-(4-ethylcyclohexen-1-yl)naphthalen-2-yl] pentanoate?
The canonical SMILES for [6-(4-ethylcyclohexen-1-yl)naphthalen-2-yl] pentanoate is CCCCC(=O)Oc1ccc2cc(C3=CCC(CC)CC3)ccc2c1.
What is the InChIKey of [6-(4-ethylcyclohexen-1-yl)naphthalen-2-yl] pentanoate?
The InChIKey is DHNCCAFULBKODQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28O2/c1-3-5-6-23(24)25-22-14-13-20-15-19(11-12-21(20)16-22)18-9-7-17(4-2)8-10-18/h9,11-17H,3-8,10H2,1-2H3.
What are the key properties of [6-(4-ethylcyclohexen-1-yl)naphthalen-2-yl] pentanoate?
[6-(4-ethylcyclohexen-1-yl)naphthalen-2-yl] pentanoate has a molecular weight of 336.48 g/mol, XLogP of 6.53, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-ethylcyclohexen-1-yl)naphthalen-2-yl] pentanoate is sourced from PubChem (CID 20500605), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).